Variant

Genome Chromosome Position VCF ID Ref Alt mRNA Change mRNA Info
GRCh37 chr6 26204967 . A C CCDS4593.1:NM_003545.3:c.95aAg>aCg_NP_003536.1:p.32K>T Homo sapiens histone cluster 1 H4 family member e (HIST1H4E), mRNA.
pdb_id
label_asym_id
label_seq_id
label_comp_id
auth_asym_id
auth_seq_id
alphafold_id
label_asym_id
label_seq_id
label_comp_id
auth_asym_id
auth_seq_id

PDB

Entity Residue Monomer BioUnit Ligand View
PDB Entity Uniprot Identity Evalue ExpMethod Date Name Label Auth ASA rASA SS φ ψ ASA rASA ΔASA Interaction Name Distance Atom(p) Atom(l)
7cow 4 P62805 100.0 4e-68 X-RAY
2021-08-11 LYS D:34 B:31 102.0 0.51 H -50.1 -51.2 102.0 0.51 0.0 DA
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
8.571
6.166
5.241
7.673
8.743
9.153
6.126
4.382
7.841
8.294
8.453
9.404
NZ
NZ
NZ
NZ
CE
C
N
N
CE
CE
NZ
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
O6
LYS H:34 F:31 107.0 0.535 H -43.4 -48.1 107.0 0.535 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
HOH
8.797
6.047
4.333
7.596
7.203
8.075
9.444
6.954
5.915
6.803
8.118
6.578
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
CE
NZ
N
O3'
C3'
OP2
N7
N4
N6
O3'
C2'
OP2
C7
O6
O
LYS L:34 L:31 107.0 0.535 H -42.3 -52.1 107.0 0.535 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.805
4.865
5.122
7.838
7.415
8.129
8.395
6.058
5.746
6.992
8.274
C
N
N
CE
NZ
NZ
NZ
NZ
CE
CE
CE
O3'
O3'
OP2
N7
N4
N6
O3'
C5'
OP2
C7
O6
LYS P:34 P:31 115.0 0.575 H -55.3 -46.5 115.0 0.575 0.0 DA
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
9.673
7.380
5.783
6.265
7.834
9.410
8.810
6.012
3.937
6.644
6.723
7.675
9.157
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
O6
1eqz 5 P62801 100.0 4e-68 X-RAY
2000-04-17 LYS F:32 D:31 102.0 0.51 H -49.5 -50.4 102.0 0.51 0.0 DG
DC
DA
DT
DG
DT
DT
DT
DG
DA
DA
DC
K
K
HOH
9.002
6.379
4.360
6.088
7.023
8.102
9.948
9.232
5.873
4.919
6.671
7.333
8.058
3.717
3.819
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CB
O3'
C3'
OP2
C7
O6
O4
O4
O3'
C2'
OP2
N6
N4
K
K
O
LYS J:32 H:31 106.0 0.53 H -52.6 -52.2 106.0 0.53 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
9.790
6.742
5.740
6.815
7.247
9.673
9.009
6.243
4.307
6.484
6.000
7.662
9.567
3.023
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
O4
O4
N4
O
1f66 3 P62806 100.0 4e-68 X-RAY
2000-11-27 LYS D:32 B:31 85.0 0.425 H -50.9 -53.6 85.0 0.425 0.0 DG
DC
DA
DT
DG
DA
HOH
9.078
6.576
4.890
7.142
9.759
8.483
2.377
C
N
N
CG
CG
CB
NZ
O3'
C3'
OP2
C7
O6
OP2
O
LYS H:32 F:231 108.0 0.54 H -53.1 -43.5 108.0 0.54 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
HOH
8.918
6.369
5.457
7.190
7.876
9.000
6.253
4.313
7.214
6.715
7.934
9.731
2.791
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
O3'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
C7
O4
N4
O
1hq3 4 P62801 100.0 4e-68 X-RAY
2001-01-24 LYS D:32 D:31 108.0 0.54 H -61.7 -44.6 108.0 0.54 0.0 PO4
CL
CL
HOH
8.567
7.600
5.960
3.750
O
CE
N
CB
O1
CL
CL
O
LYS H:32 H:31 108.0 0.54 H -54.3 -47.9 108.0 0.54 0.0 CL
CL
HOH
7.494
3.129
3.470
CE
N
NZ
CL
CL
O
1tzy 4 P62801 100.0 4e-68 X-RAY
2004-08-03 LYS D:32 D:31 113.0 0.565 H -51.4 -52.8 113.0 0.565 0.0 CL
CL
HOH
7.556
6.479
3.480
CE
N
CE
CL
CL
O
LYS H:32 H:31 108.0 0.54 H -50.8 -52.5 108.0 0.54 0.0 CL
CL
HOH
7.419
3.066
3.380
CE
N
NZ
CL
CL
O
1u35 3 Q5T006 100.0 4e-68 X-RAY
2005-09-27 LYS D:32 B:31 99.0 0.495 H -61.0 -45.9 99.0 0.495 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
HOH
8.915
6.413
4.520
6.545
7.019
8.738
9.518
5.916
5.188
7.366
8.381
3.944
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
O
LYS H:32 F:231 113.0 0.565 H -54.8 -48.2 113.0 0.565 0.0 DT
DG
DA
DA
DC
DA
DG
DC
DA
DT
DG
DT
HOH
9.840
6.435
5.577
6.907
7.380
9.707
8.785
6.202
4.438
5.811
6.879
7.946
2.862
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
N
O3'
C2'
OP2
N6
N4
N6
O3'
C3'
OP2
C7
O6
O4
O
2aro 4 P62801 100.0 4e-68 X-RAY
2005-08-30 LYS D:32 D:31 115.0 0.575 H -48.1 -49.5 115.0 0.575 0.0 PO4
CL
CL
HOH
8.004
7.376
6.625
2.304
O
CE
C
NZ
O2
CL
CL
O
LYS H:32 H:31 109.0 0.545 H -51.4 -55.1 109.0 0.545 0.0 CL
CL
HOH
7.390
4.191
3.200
CE
CB
NZ
CL
CL
O
2cv5 3 P62805 100.0 4e-68 X-RAY
2005-06-28 LYS D:32 B:31 112.0 0.56 H -61.8 -49.5 112.0 0.56 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
HOH
8.857
6.160
4.512
6.336
7.895
8.523
9.533
6.468
5.679
7.747
8.269
2.706
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
NZ
NZ
N
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
O
LYS H:32 F:31 119.0 0.595 H -52.9 -50.6 119.0 0.595 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
9.841
6.578
5.634
6.906
7.323
9.548
9.096
6.018
4.146
6.703
6.286
7.830
9.687
2.904
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
O
2f8n 3 P62799 100.0 4e-68 X-RAY
2006-05-23 LYS D:32 B:31 100.0 0.5 H -52.0 -43.5 100.0 0.5 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
HOH
8.773
6.092
4.297
6.472
6.873
8.530
9.755
5.829
5.072
7.677
8.224
8.681
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CE
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
O
LYS G:32 F:231 109.0 0.545 H -50.3 -50.4 109.0 0.545 0.0 DG
DA
DA
DC
DA
DG
DC
DA
DT
DG
DT
HOH
6.558
5.752
6.925
6.929
9.633
8.761
6.254
4.431
5.730
6.798
7.684
2.949
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
N
C2'
OP2
N6
N4
N6
O3'
C3'
OP2
C7
O6
O4
O
3nqu 2 P62805 100.0 4e-68 X-RAY
2010-08-25 LYS B:32 B:31 111.0 0.555 H -41.0 -56.3 111.0 0.555 0.0 SO4
SO4
HOH
5.977
3.737
3.261
N
CB
N
O3
O3
O
3r45 2 P62805 100.0 4e-68 X-RAY
2011-04-06 LYS B:32 B:31 93.0 0.465 H -62.2 -45.0 93.0 0.465 0.0 SO4
SO4
SO4
GOL
HOH
5.784
3.142
3.095
9.035
2.733
N
CD
CE
O
NZ
O2
O3
O3
O2
O
4hga 3 P62805 100.0 4e-68 X-RAY
2012-11-07 LYS C:32 C:31 106.0 0.53 H -51.7 -46.4 106.0 0.53 0.0 HOH
3.524
CB
O
4kgc 2 P62799 100.0 4e-68 X-RAY
2014-03-26 LYS B:32 B:31 105.0 0.525 H -44.8 -52.8 105.0 0.525 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
9.204
6.327
4.504
6.167
7.668
8.374
8.486
5.707
4.795
6.979
7.579
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
LYS F:32 F:31 103.0 0.515 H -46.1 -46.6 103.0 0.515 0.0 DT
DG
DA
DA
DC
DA
DG
DC
DA
DT
DG
DT
DT
9.665
6.250
5.328
6.998
7.512
9.726
8.919
6.351
4.545
5.962
7.121
8.016
9.952
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
CD
NZ
NZ
NZ
C2'
C2'
OP2
N6
N4
N6
O3'
O3'
OP2
C7
O6
O4
O4
4ld9 2 P62799 100.0 4e-68 X-RAY
2013-08-14 LYS B:32 B:31 102.0 0.51 H -56.3 -46.2 102.0 0.51 0.0 DA
DA
DA
DC
DG
DC
DC
DC
DC
DG
DC
9.002
5.930
4.548
7.838
8.035
7.800
9.043
6.612
5.742
7.237
8.868
C
N
N
CE
NZ
NZ
NZ
NZ
CE
NZ
CE
O3'
C3'
OP2
C5
O6
N4
O3'
C2'
OP2
O6
N4
LYS F:32 F:31 116.0 0.58 H -68.7 -59.3 116.0 0.58 0.0 DA
DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
9.430
6.999
6.622
8.209
8.841
8.670
5.732
4.023
8.018
7.982
9.509
NZ
NZ
CD
CD
CD
N
N
N
CD
CD
NZ
O3'
OP2
OP2
C7
O6
O3'
C3'
OP2
N7
N4
N6
4z2m 3 P62805 100.0 4e-68 X-RAY
2016-03-09 LYS C:32 H:31 102.0 0.51 H -49.7 -46.2 51.0 0.255 0.255 A:Q9Y5B9:0.255
LYS E:32 J:31 106.0 0.53 H -46.9 -47.5 106.0 0.53 0.0
4zux 2 P62799 100.0 4e-68 X-RAY
2016-02-24 LYS B:32 B:31 108.0 0.54 H -71.0 -39.6 108.0 0.54 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.622
5.970
3.945
7.776
6.349
7.394
9.726
6.531
5.487
6.387
8.006
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
N7
N4
N6
O3'
C2'
OP2
C7
O6
LYS F:32 F:31 107.0 0.535 H -46.3 -51.4 107.0 0.535 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
9.889
7.117
5.862
8.353
8.293
8.831
5.914
3.999
6.831
7.417
8.813
NZ
CE
CE
CE
CE
C
N
N
CD
CE
NZ
O3'
C2'
OP2
O6
N4
O3'
O3'
OP2
C5
O6
N4
LYS L:32 L:31 103.0 0.515 H -70.3 -39.2 NA NA NA
LYS P:32 P:31 106.0 0.53 H -70.8 -39.4 NA NA NA
5c3i 3 P62805 100.0 4e-68 X-RAY
2015-07-29 LYS C:32 C:31 111.0 0.555 H -57.5 -46.1 NA NA NA
LYS G:32 G:31 90.0 0.45 H -63.8 -40.9 NA NA NA
LYS K:32 K:31 103.0 0.515 H -63.0 -44.7 103.0 0.515 0.0
LYS O:32 O:31 99.0 0.495 H -64.2 -42.3 NA NA NA
LYS S:32 S:31 113.0 0.565 H -58.1 -44.1 NA NA NA
LYS W:32 W:31 105.0 0.525 H -57.4 -48.0 NA NA NA
5e5a 3 P62799 100.0 4e-68 X-RAY
2016-02-03 LYS D:32 B:31 108.0 0.54 H -56.9 -46.7 108.0 0.54 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
DA
HOH
8.867
6.246
4.582
5.903
6.360
7.953
9.889
6.423
5.513
6.852
7.234
9.959
4.143
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CE
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
N6
O
LYS H:32 F:31 108.0 0.54 H -58.3 -48.8 108.0 0.54 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
9.671
6.595
5.618
7.100
7.391
9.879
8.930
6.233
4.352
6.664
6.396
7.893
9.863
3.140
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
O3'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
O
5kgf 2 P62799 100.0 4e-68 EM
2016-07-27 LYS B:32 B:31 133.0 0.665 H -40.7 -45.5 133.0 0.665 0.0 DA
DA
DC
DG
DC
DA
DC
DC
DG
DT
DG
9.162
5.568
3.312
6.276
6.196
6.960
9.545
7.722
7.389
7.174
7.943
C
N
N
NZ
NZ
NZ
NZ
CE
CE
NZ
NZ
O3'
O3'
OP2
OP2
N4
N6
N4
C2'
OP2
O4
O6
LYS F:32 F:31 130.0 0.65 H -40.3 -45.8 130.0 0.65 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
9.378
7.298
6.750
7.524
8.951
9.702
6.634
4.462
7.246
7.211
7.595
9.255
NZ
CE
CE
NZ
CE
C
N
N
NZ
NZ
NZ
NZ
C2'
C2'
OP2
O6
N4
O3'
O3'
OP2
C5
N7
N4
O6
5o9g 2 P62799 100.0 4e-68 EM
2017-10-11 LYS B:32 B:31 98.0 0.49 H -72.5 -49.9 98.0 0.49 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.346
5.627
4.101
7.119
8.032
8.822
8.905
6.694
5.608
7.325
9.145
N
N
N
NZ
NZ
NZ
NZ
NZ
CD
NZ
NZ
O3'
O3'
OP2
OP2
N4
N6
O3'
OP2
OP2
C7
O6
LYS F:32 F:31 65.0 0.325 H -70.2 -46.2 65.0 0.325 0.0 DC
DC
DC
DA
DA
DA
DC
8.233
5.330
6.586
8.630
5.545
3.734
8.284
NZ
NZ
NZ
C
N
N
CB
O3'
C5'
OP2
O3'
O3'
OP2
OP2
5omx 4 P62799 100.0 4e-68 X-RAY
2017-11-15 LYS D:32 B:31 102.0 0.51 H -54.9 -44.1 102.0 0.51 0.0 DC
DA
DT
DG
DT
DT
DC
DT
DG
DA
DA
HOH
9.018
5.912
4.276
7.183
6.712
8.140
9.643
6.618
5.675
7.315
8.044
6.182
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
N
O3'
C3'
OP2
N7
C7
O4
O3'
C2'
OP2
N6
N6
O
LYS H:32 F:31 106.0 0.53 H -60.0 -42.5 106.0 0.53 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
HOH
9.880
6.903
5.836
7.216
7.643
8.940
6.152
4.483
6.620
6.225
7.840
9.773
2.974
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
C7
O4
N4
O
5ong 4 P62799 100.0 4e-68 X-RAY
2017-11-22 LYS D:32 B:31 100.0 0.5 H -58.9 -41.6 100.0 0.5 0.0 DC
DA
DT
DG
DT
DT
DC
DT
DG
DA
DA
DC
HOH
8.852
5.861
4.176
7.506
6.753
8.307
9.462
6.124
5.020
7.134
7.686
9.890
2.870
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
O3'
C3'
OP2
N7
O4
O4
C2'
C2'
OP2
N6
N6
N4
O
LYS H:32 F:31 100.0 0.5 H -55.4 -42.6 100.0 0.5 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
HOH
9.505
6.765
5.624
7.447
8.287
8.789
6.210
4.497
7.621
6.785
8.236
9.983
5.466
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
CD
C2'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
C7
O4
N4
O
5onw 4 P62799 100.0 4e-68 X-RAY
2017-11-22 LYS D:32 B:31 108.0 0.54 H -36.0 -40.4 108.0 0.54 0.0 DC
DA
DT
DG
DT
DT
DC
DT
DG
DA
DA
DC
8.648
5.726
4.010
6.331
5.820
7.536
9.651
6.985
5.589
6.235
6.778
9.074
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
NZ
O3'
C3'
OP2
N7
O4
O4
N4
C2'
OP2
N6
N6
N4
LYS H:32 F:31 114.0 0.57 H -58.2 -38.4 114.0 0.57 0.0 DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
6.660
5.692
7.016
7.706
9.968
8.907
6.207
4.308
7.226
6.601
7.986
9.873
6.166
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
O
5x0x 2 P62799 100.0 4e-68 EM
2017-04-19 LYS B:32 B:31 110.0 0.55 H -42.4 -42.5 110.0 0.55 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
9.454
6.702
5.996
7.424
8.470
8.901
6.010
4.283
7.338
7.665
7.348
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
LYS F:32 F:31 110.0 0.55 H -42.4 -42.5 110.0 0.55 0.0 DA
DA
DC
DG
DC
DA
DC
DA
DC
DG
DT
DG
8.926
6.302
4.567
7.661
7.169
8.063
9.926
9.049
6.716
5.758
6.807
7.611
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
O3'
OP2
OP2
N4
N6
N4
O3'
C2'
OP2
C7
O6
5xf3 2 P62805 100.0 4e-68 X-RAY
2017-10-11 LYS B:32 B:31 106.0 0.53 H -49.5 -38.1 106.0 0.53 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
9.021
6.430
4.610
6.348
7.087
7.963
8.990
5.779
5.022
6.656
7.150
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
LYS F:32 F:31 100.0 0.5 H -52.9 -53.7 100.0 0.5 0.0 DT
DG
DA
DA
DC
DG
DC
DA
DT
DG
DT
9.660
6.216
5.482
7.083
7.589
8.995
6.369
4.898
6.188
7.206
8.102
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
C2'
OP2
N6
N4
O3'
O3'
OP2
C7
O6
O4
5xf4 2 P62805 100.0 4e-68 X-RAY
2017-10-11 LYS B:32 B:31 105.0 0.525 H -51.6 -40.9 105.0 0.525 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
DA
8.976
6.401
4.676
6.267
7.272
8.035
8.911
5.805
5.144
6.786
7.321
9.982
C
N
N
CE
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CE
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
N6
LYS F:32 F:31 97.0 0.485 H -63.6 -48.9 97.0 0.485 0.0 DT
DG
DA
DA
DC
DG
DC
DA
DT
DG
DT
9.405
5.995
5.301
7.206
7.751
8.885
6.349
4.795
6.361
7.423
8.241
NZ
NZ
NZ
NZ
NZ
C
N
N
CE
NZ
NZ
O3'
C2'
OP2
N6
N4
O3'
O3'
OP2
C7
O6
O4
5xf5 2 P62805 100.0 4e-68 X-RAY
2017-10-11 LYS B:32 B:31 107.0 0.535 H -53.1 -43.4 107.0 0.535 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
9.159
6.443
4.578
6.232
7.236
8.091
8.872
5.820
5.156
6.782
7.423
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
LYS F:32 F:31 101.0 0.505 H -56.7 -44.1 101.0 0.505 0.0 DT
DG
DA
DA
DC
DG
DC
DA
DT
DG
DT
DT
9.728
6.288
5.480
6.822
7.346
9.070
6.448
4.669
5.889
7.080
7.948
9.995
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
N6
N4
O3'
O3'
OP2
C7
O6
O4
O4
6buz 2 P62805 100.0 4e-68 EM
2017-12-20 LYS B:32 B:32 119.0 0.595 H -58.7 -46.9 119.0 0.595 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.987
6.033
4.484
6.719
7.305
8.325
9.288
6.913
6.911
7.934
9.097
N
N
N
CD
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
O3'
OP2
OP2
C7
O6
LYS F:32 F:32 122.0 0.61 H -58.7 -46.9 122.0 0.61 0.0 DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
7.676
7.496
8.308
9.616
9.025
6.226
4.012
6.988
8.349
7.885
NZ
NZ
NZ
NZ
N
N
N
CD
NZ
NZ
OP2
OP2
O6
N4
O3'
C3'
OP2
OP2
N7
N4
6e0c 2 P62805 100.0 4e-68 EM
2019-05-22 LYS B:32 B:31 102.0 0.51 H -60.7 -41.0 102.0 0.51 0.0 DA
DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
9.664
7.592
6.871
7.134
8.346
8.627
5.983
4.271
7.164
6.860
8.186
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
OP2
OP2
C7
O6
O3'
C3'
OP2
N7
N4
N6
LYS F:32 F:31 97.0 0.485 H -68.0 -25.3 97.0 0.485 0.0 DA
DA
DA
DC
DG
DC
DC
DC
DG
DC
DG
8.724
6.093
4.288
6.529
7.455
8.306
8.100
6.918
7.740
8.174
9.645
C
N
CG
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C5
O6
N4
C2'
OP2
O6
N4
O6
6e0p 2 P62805 100.0 4e-68 EM
2019-05-22 LYS B:32 B:31 93.0 0.465 H -59.6 -40.3 93.0 0.465 0.0 DG
DA
DA
DA
DC
DT
DG
DG
DA
DG
DT
9.926
7.630
6.575
8.322
8.761
8.792
5.808
4.534
6.836
8.252
9.181
NZ
NZ
NZ
NZ
NZ
C
N
N
CD
NZ
NZ
O3'
C2'
OP2
N6
N4
O3'
C3'
OP2
OP2
O6
O4
LYS F:32 F:31 92.0 0.46 H -59.6 -40.2 92.0 0.46 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
8.815
6.173
4.376
6.197
8.284
9.260
9.904
7.502
6.514
8.398
8.714
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
6ftx 2 P62799 100.0 4e-68 EM
2018-08-08 LYS B:32 B:31 110.0 0.55 H -28.4 -61.3 110.0 0.55 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
DG
8.676
5.296
3.227
5.619
6.258
9.016
9.973
7.665
6.586
6.205
8.216
9.455
NZ
CE
N
CE
CE
CD
CG
CG
NZ
NZ
NZ
CE
C2'
C2'
OP2
N7
N4
N6
C3'
OP2
C7
O6
N4
N1
LYS F:32 F:31 84.0 0.42 H -62.0 -46.4 84.0 0.42 0.0 DC
DC
DC
DG
DA
DA
DA
DA
DA
DC
DG
9.814
6.302
4.938
9.761
9.259
9.506
9.064
5.872
4.098
6.641
9.935
NZ
NZ
NZ
NZ
N
N
C
N
N
CB
NZ
O3'
C3'
OP2
O6
C5'
OP1
O3'
C3'
OP2
OP2
OP2
6g0l 2 P62799 100.0 4e-68 EM
2018-08-22 LYS B:32 B:31 110.0 0.55 H -28.4 -61.3 110.0 0.55 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
DG
8.677
5.054
3.388
5.093
6.340
9.645
9.899
8.437
6.621
6.925
8.175
9.258
NZ
CE
N
CE
CE
CD
CG
CG
NZ
NZ
NZ
CE
C2'
C2'
OP2
N7
N4
N6
C2'
OP2
C7
O6
N4
N1
LYS F:32 F:31 86.0 0.43 H -61.9 -46.5 86.0 0.43 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DA
DA
DC
DG
DC
9.744
6.718
5.742
8.532
9.254
9.632
9.951
8.128
4.137
2.443
7.244
8.801
9.622
NZ
NZ
NZ
NZ
NZ
N
N
C
N
N
CB
NZ
NZ
O3'
C3'
OP2
O6
N4
C5'
OP1
O3'
O3'
OP2
OP2
O6
N4
6hts 6 P62805 100.0 4e-68 EM
2018-11-07 LYS J:32 J:31 119.0 0.595 H -55.1 -42.7 119.0 0.595 0.0 DA
DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
DC
8.496
6.503
5.587
6.064
7.762
8.342
5.614
3.873
7.717
6.765
7.673
9.727
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
C7
O6
O3'
C3'
OP2
N7
N4
N6
N4
LYS N:32 N:31 123.0 0.615 H -53.7 -43.6 123.0 0.615 0.0 DA
DA
DA
DC
DG
DC
DG
DC
DC
DC
DG
DC
9.333
6.120
4.119
7.929
7.654
7.750
9.064
8.931
6.167
5.889
7.177
8.430
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
O3'
OP2
OP2
O6
N4
O6
O3'
C2'
OP2
O6
N4
6i84 5 P62799 100.0 4e-68 EM
2019-01-02 LYS F:32 O:31 117.0 0.585 H -46.7 -51.1 117.0 0.585 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
DG
8.971
6.394
4.796
5.489
6.386
8.626
9.402
7.625
6.959
6.668
6.313
7.654
C
N
NZ
NZ
NZ
NZ
CG
CD
NZ
NZ
NZ
NZ
O3'
C3'
C5
O6
N4
N6
C3'
OP2
C7
O6
N4
O6
LYS I:32 U:31 128.0 0.64 H -62.5 -41.8 128.0 0.64 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
8.253
7.540
8.097
9.252
9.795
8.917
5.962
4.543
5.945
7.835
8.309
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
N7
N4
6j99 2 P62799 100.0 4e-68 EM
2019-02-27 LYS B:32 B:31 130.0 0.65 H -49.4 -45.1 130.0 0.65 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
8.976
5.663
3.599
3.802
6.859
9.437
8.658
8.717
8.248
8.761
C
CE
CE
NZ
NZ
NZ
CD
CG
NZ
NZ
O3'
O3'
OP2
OP2
N4
N6
OP2
OP2
C7
O6
LYS F:32 F:31 121.0 0.605 H -57.3 -39.2 121.0 0.605 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
9.180
7.030
6.604
7.482
8.434
9.504
8.608
5.835
3.937
6.132
7.001
7.564
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
OP2
OP2
O6
N4
O6
O3'
C3'
OP2
OP2
N7
N4
6kw3 1 P62799 100.0 4e-68 EM
2019-11-13 LYS A:32 B:31 110.0 0.55 H -61.2 -42.7 110.0 0.55 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
9.622
6.267
4.640
6.833
6.401
9.402
9.112
6.742
6.033
6.530
7.445
7.930
NZ
NZ
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O6
O3'
O5'
OP2
N4
O6
N4
LYS E:32 R:31 123.0 0.615 H -60.2 -45.2 123.0 0.615 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
DG
DA
8.151
5.738
4.324
5.940
5.958
7.753
8.736
6.934
6.082
6.644
8.025
9.625
9.223
N
N
CE
NZ
NZ
NZ
NZ
CD
NZ
NZ
NZ
NZ
N
O3'
C3'
OP2
N7
N4
N6
C2'
OP2
C7
O6
N4
O6
OP1
6kw4 2 P62799 100.0 4e-68 EM
2019-11-13 LYS B:32 B:31 105.0 0.525 H -61.0 -45.7 105.0 0.525 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
9.862
7.077
5.828
7.528
6.625
8.880
9.903
7.239
5.343
5.509
6.555
7.632
CE
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
C2'
C5
O6
N4
O6
O3'
C3'
OP2
N4
O6
N4
LYS E:32 R:31 105.0 0.525 H -68.2 -51.2 105.0 0.525 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
DG
DA
8.236
5.231
3.545
6.647
6.617
9.510
9.713
7.768
5.412
7.651
7.798
9.452
9.429
N
N
CE
CE
CE
CE
NZ
NZ
NZ
NZ
NZ
CE
N
O3'
C3'
OP2
N7
N4
N6
C2'
OP2
C7
O6
N4
N2
OP1
6kw5 13 P62799 100.0 4e-68 EM
2020-09-09 LYS N:32 W:31 119.0 0.595 H -70.0 -47.6 119.0 0.595 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
9.263
6.535
4.544
6.121
7.224
9.291
9.068
8.279
8.302
8.570
9.922
C
N
CE
NZ
NZ
NZ
NZ
CD
NZ
NZ
NZ
O3'
O3'
OP2
OP2
N4
N6
C2'
OP2
C7
O6
N4
LYS R:32 S:31 106.0 0.53 H -77.4 -46.5 106.0 0.53 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
8.070
6.383
7.091
7.038
8.592
9.105
5.664
4.282
6.894
6.786
8.742
NZ
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
C2'
OP2
N7
N4
O6
O3'
C3'
OP2
C5
O6
N4
6l9z 2 P62805 100.0 4e-68 X-RAY
2021-02-17 LYS B:32 B:31 116.0 0.58 H -55.4 -48.6 116.0 0.58 0.0 DA
DA
DC
DG
DC
DA
DC
DA
DC
DG
DT
DG
8.846
6.267
4.437
7.521
6.976
7.726
9.805
9.557
6.409
5.581
6.524
7.775
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
N4
C2'
C2'
OP2
C7
O6
LYS F:32 F:31 107.0 0.535 H -46.8 -56.4 107.0 0.535 0.0 DA
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
HOH
9.803
7.084
5.471
6.769
7.254
9.443
8.927
6.223
4.402
6.846
6.990
8.318
9.724
3.027
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
O6
O
LYS L:32 L:31 112.0 0.56 H -47.1 -49.3 112.0 0.56 0.0 DA
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
HOH
9.624
7.100
5.688
7.004
7.848
8.686
6.253
4.470
7.681
7.138
7.972
9.833
4.484
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
CE
C2'
C3'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
O6
O
LYS P:32 P:31 106.0 0.53 H -51.6 -53.9 106.0 0.53 0.0 DA
DA
DC
DG
DC
DA
DC
DA
DC
DG
DT
DG
DC
HOH
8.764
6.230
4.362
6.847
6.825
7.774
9.889
9.813
6.903
5.750
6.164
7.443
9.944
2.981
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
NZ
N
O3'
C3'
OP2
N7
N4
N6
N4
C2'
C2'
OP2
C7
O6
N4
O
6la2 2 P62805 100.0 4e-68 X-RAY
2021-02-17 LYS B:32 f:31 106.0 0.53 H -38.8 -59.1 106.0 0.53 0.0 DA
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
9.147
6.639
5.736
7.368
8.332
8.905
6.282
4.574
7.809
7.451
8.106
9.877
NZ
NZ
NZ
NZ
CE
C
N
N
CD
NZ
NZ
NZ
C2'
C3'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
O6
LYS F:32 j:31 109.0 0.545 H -38.5 -59.0 109.0 0.545 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
9.056
6.304
4.426
7.160
6.791
7.604
9.490
6.890
5.520
6.410
7.686
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
C2'
C2'
OP2
O4
O6
LYS L:32 B:31 110.0 0.55 H -39.0 -58.7 110.0 0.55 0.0 DA
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
9.965
7.110
5.625
6.949
7.728
8.914
6.102
4.386
6.839
6.836
7.815
9.904
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C3'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
O6
LYS P:32 F:31 109.0 0.545 H -39.1 -58.5 109.0 0.545 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.718
6.199
4.449
7.360
7.050
7.823
9.530
7.163
5.656
6.793
8.072
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
C2'
C2'
OP2
C7
O6
LYS V:32 L:31 106.0 0.53 H -38.1 -59.4 106.0 0.53 0.0 DA
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
9.328
6.574
5.142
7.015
8.309
8.728
6.297
4.307
7.567
7.240
8.105
NZ
NZ
NZ
NZ
NZ
C
N
N
CE
NZ
NZ
C2'
C3'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
LYS Z:32 P:31 107.0 0.535 H -38.9 -58.9 107.0 0.535 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.518
6.338
4.582
7.687
7.396
8.319
9.069
6.065
5.452
6.802
8.088
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
C2'
C2'
OP2
C7
O6
LYS FA:32 V:31 108.0 0.54 H -39.1 -58.5 108.0 0.54 0.0 DA
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
9.468
6.833
5.247
6.915
8.148
8.656
6.314
4.458
7.468
6.999
7.903
9.993
NZ
NZ
CE
NZ
NZ
C
C
N
NZ
NZ
NZ
NZ
C2'
C3'
OP2
O6
N4
O3'
OP1
OP2
C5
O6
N4
O6
LYS JA:32 Z:31 113.0 0.565 H -39.6 -58.6 113.0 0.565 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.767
6.525
4.688
6.849
6.857
8.237
9.879
6.875
5.775
6.764
7.890
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
C2'
C2'
OP2
C7
O6
6la8 2 P62805 100.0 4e-68 X-RAY
2020-10-07 LYS B:32 B:31 114.0 0.57 H -42.6 -60.2 114.0 0.57 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.962
6.362
4.294
7.289
6.873
7.903
9.780
7.330
5.517
6.489
7.597
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
O3'
OP2
N7
N4
N6
C2'
C2'
OP2
C7
O6
LYS F:32 F:31 108.0 0.54 H -43.3 -60.3 108.0 0.54 0.0 DA
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
9.700
7.127
5.422
7.018
7.512
9.639
8.913
6.281
4.379
7.394
7.101
8.043
9.458
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C3'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
O6
LYS L:32 L:31 116.0 0.58 H -43.1 -60.2 116.0 0.58 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.543
6.357
4.525
7.839
7.052
8.154
9.502
7.160
5.449
6.592
8.114
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
C2'
C3'
OP2
C7
O6
LYS P:32 P:31 111.0 0.555 H -43.4 -60.2 111.0 0.555 0.0 DA
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
9.363
7.026
5.563
6.907
8.108
9.714
8.916
6.347
4.752
6.931
7.196
8.125
9.479
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
O6
6la9 2 P62805 100.0 4e-68 X-RAY
2020-10-07 LYS B:32 B:31 112.0 0.56 H -41.3 -61.0 112.0 0.56 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.693
6.293
4.535
7.416
6.959
7.637
9.112
6.975
5.261
6.087
7.368
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
O3'
OP2
N7
N4
N6
O3'
C2'
OP2
C7
O6
LYS F:32 F:31 112.0 0.56 H -42.2 -60.3 112.0 0.56 0.0 DA
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
9.046
6.794
5.579
7.036
7.509
9.600
8.844
6.468
4.646
6.880
6.911
8.248
9.242
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
O6
LYS L:32 L:31 114.0 0.57 H -41.4 -60.7 114.0 0.57 0.0 DA
DA
DC
DG
DC
DA
DC
DA
DC
DG
DT
DG
8.674
6.409
4.398
7.698
7.049
7.590
9.706
9.546
6.669
5.297
6.119
7.748
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
N4
C2'
C2'
OP2
C7
O6
LYS P:32 P:31 114.0 0.57 H -41.8 -60.8 114.0 0.57 0.0 DA
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
9.848
7.264
5.942
6.395
7.623
9.350
8.968
6.419
4.380
6.722
6.619
7.533
9.167
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
O6
6lab 2 P62805 100.0 4e-68 X-RAY
2021-02-17 LYS B:32 B:31 106.0 0.53 H -49.9 -37.4 106.0 0.53 0.0 DA
DA
DC
DG
DC
DA
DC
DC
DG
DT
DG
8.799
6.073
4.581
7.754
7.114
8.169
9.984
6.637
6.100
6.823
8.144
N
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
N4
C2'
OP2
C7
O6
LYS F:32 F:31 108.0 0.54 H -62.3 -39.8 108.0 0.54 0.0 DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
DC
7.047
5.622
6.048
7.431
8.658
6.420
4.513
7.261
6.564
7.970
9.946
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
OP2
C7
O6
O3'
C3'
OP2
N7
N4
N6
N4
LYS L:32 L:31 110.0 0.55 H -51.8 -48.7 110.0 0.55 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.563
6.256
4.693
8.007
7.702
9.023
9.423
7.234
5.854
6.985
8.559
C
N
N
CE
NZ
NZ
NZ
NZ
CE
CE
CE
O3'
C3'
OP2
N7
N4
N6
C2'
C3'
OP2
C7
O6
LYS P:32 P:31 105.0 0.525 H -60.6 -40.4 105.0 0.525 0.0 DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
7.447
5.756
6.110
7.268
8.654
6.211
4.477
6.803
6.328
8.049
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C6
OP2
C7
O6
O3'
C3'
OP2
N7
N4
N6
6ler 2 P62805 100.0 4e-68 X-RAY
2021-03-03 LYS B:32 L:31 108.0 0.54 H -52.6 -53.6 NA NA NA
LYS F:32 P:31 110.0 0.55 H -48.3 -55.6 NA NA NA
LYS L:32 B:31 115.0 0.575 H -41.8 -55.0 115.0 0.575 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.753
6.452
4.458
7.295
6.712
8.056
9.770
6.788
5.884
6.353
7.573
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
C2'
C2'
OP2
C7
O6
LYS P:32 F:31 110.0 0.55 H -46.0 -53.0 110.0 0.55 0.0 DA
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
9.890
6.727
5.696
7.139
7.193
9.103
8.829
6.311
4.406
6.399
6.614
8.024
9.048
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
O6
6ltj 2 P62799 100.0 4e-68 EM
2020-02-12 LYS B:32 B:31 111.0 0.555 H -69.4 -42.3 111.0 0.555 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
8.580
6.892
6.075
7.708
9.259
8.436
5.846
4.129
7.258
8.307
8.202
NZ
NZ
NZ
NZ
CD
C
N
N
NZ
NZ
NZ
O3'
OP2
OP2
O6
N4
O3'
O3'
OP2
C5
O6
N4
LYS F:32 F:31 32.0 0.16 H -63.3 -40.6 32.0 0.16 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
8.708
6.094
4.199
7.974
9.515
9.858
6.961
5.418
8.829
C
N
N
CB
CG
CE
CE
CE
CG
O3'
C3'
OP2
OP2
N4
O3'
C5'
OP2
C7
6m3v 2 P62805 100.0 4e-68 X-RAY
2020-10-07 LYS B:32 B:31 107.0 0.535 H -32.1 -63.0 107.0 0.535 0.0 DA
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
8.984
6.676
5.530
7.568
8.654
9.083
6.313
5.183
7.773
8.102
8.753
9.505
NZ
NZ
NZ
CE
CE
C
N
N
CE
CE
NZ
NZ
C2'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
O6
LYS F:32 F:31 120.0 0.6 H -31.6 -63.4 120.0 0.6 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
8.787
6.205
4.339
7.048
6.508
7.202
7.407
6.022
7.001
7.521
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
C2'
OP2
O4
O6
LYS L:32 L:31 113.0 0.565 H -30.3 -64.4 113.0 0.565 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.582
5.937
4.180
7.350
6.896
7.993
9.455
6.497
5.685
7.157
7.925
C
N
N
CE
NZ
NZ
NZ
NZ
NZ
CE
NZ
O3'
C3'
OP2
N7
N4
N6
C3'
C2'
OP2
C7
O6
LYS P:32 P:31 120.0 0.6 H -32.1 -63.3 120.0 0.6 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
7.759
6.085
6.407
7.210
8.770
9.029
6.211
4.305
5.851
6.144
8.001
9.314
NZ
CE
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
NZ
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
O6
6m44 2 P62805 100.0 4e-68 X-RAY
2020-10-07 LYS B:32 B:31 104.0 0.52 H -37.1 -56.7 104.0 0.52 0.0 DA
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
8.655
6.026
5.163
6.815
8.592
8.833
6.019
4.832
7.916
7.970
8.113
9.149
NZ
NZ
NZ
NZ
CE
C
N
N
CD
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
O6
LYS F:32 F:31 109.0 0.545 H -37.2 -56.3 109.0 0.545 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.638
6.259
4.299
7.817
7.176
7.413
9.108
6.433
5.263
6.570
7.712
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
CE
CE
O3'
C3'
OP2
N7
N4
N6
O3'
C2'
OP2
C7
O6
LYS L:32 L:31 107.0 0.535 H -37.5 -56.6 107.0 0.535 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.904
5.011
4.769
8.030
7.388
7.925
8.556
6.129
5.442
7.394
8.517
C
N
N
CE
NZ
NZ
NZ
NZ
NZ
CE
CE
O3'
O3'
OP2
N7
N4
N6
O3'
C2'
OP2
C7
O6
LYS P:32 P:31 110.0 0.55 H -37.8 -56.5 110.0 0.55 0.0 DA
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
9.208
6.868
5.415
6.655
7.536
9.218
8.890
6.314
4.557
7.085
6.590
8.296
9.294
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
O6
6m4d 2 P62805 100.0 4e-68 EM
2020-09-23 LYS B:32 B:31 104.0 0.52 H -59.4 -51.0 104.0 0.52 0.0 DC
DC
DA
DA
DA
DC
9.815
8.954
8.018
5.093
3.063
6.272
CG
O
C
NZ
NZ
NZ
OP2
OP2
O3'
O3'
OP1
OP2
LYS F:32 F:31 102.0 0.51 H -59.3 -51.0 102.0 0.51 0.0 DA
DA
DC
DG
DC
DC
DG
DT
7.139
4.786
2.925
7.427
9.871
9.657
8.223
9.558
C
NZ
NZ
NZ
CE
CG
O
CB
O3'
O3'
OP1
OP2
N4
OP2
OP2
C7
6m4g 4 P62805 100.0 4e-68 EM
2020-09-23 LYS D:32 B:31 112.0 0.56 H -64.2 -46.3 112.0 0.56 0.0 DA
DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
9.227
6.801
5.680
6.530
8.037
8.606
5.871
4.263
7.246
6.851
7.805
NZ
NZ
CE
NZ
NZ
N
N
N
NZ
NZ
NZ
O3'
C2'
OP2
C7
O6
O3'
C3'
OP2
N7
N4
N6
LYS G:32 F:31 112.0 0.56 H -64.1 -46.3 112.0 0.56 0.0 DA
DA
DA
DC
DG
DC
DG
DC
DC
DC
DG
DC
DG
8.800
5.906
4.265
7.264
7.645
8.199
9.357
8.727
6.800
5.613
7.419
8.409
9.939
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
NZ
O3'
C3'
OP2
C5
O6
N4
O6
O3'
C2'
OP2
O6
N4
O6
6m4h 4 P62805 100.0 4e-68 EM
2020-09-23 LYS D:32 B:31 111.0 0.555 H -64.3 -46.3 111.0 0.555 0.0 DA
DC
DG
DT
DG
DC
DA
DA
DC
DG
DC
DA
DC
8.338
6.161
5.424
5.980
7.167
9.654
8.505
5.739
4.061
7.329
6.534
7.561
8.874
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
CD
NZ
NZ
NZ
O3'
C2'
OP2
C7
O6
N4
O3'
C3'
OP2
OP2
N4
N6
N4
LYS H:32 F:31 112.0 0.56 H -64.1 -46.3 112.0 0.56 0.0 DA
DA
DA
DC
DG
DC
DG
DC
DC
DC
DG
DC
DG
8.533
5.646
4.607
7.262
6.981
7.464
8.442
8.468
6.166
5.209
7.256
7.607
9.212
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
NZ
O3'
C3'
OP1
C5
O6
N4
O6
O3'
C2'
OP2
O6
N4
O6
6ne3 2 P62799 100.0 4e-68 EM
2019-07-17 LYS B:32 B:31 104.0 0.52 H -69.0 -38.7 104.0 0.52 0.0 DC
DG
DC
DA
DC
DG
DT
DA
DC
DG
8.668
5.894
4.250
6.608
7.293
8.907
8.604
7.714
7.693
8.607
C
N
N
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
OP2
N4
O6
C2'
OP2
N4
O6
LYS F:32 F:31 110.0 0.55 H -58.6 -45.1 110.0 0.55 0.0 DG
DC
DG
DT
DT
DT
DA
DA
DA
DA
DC
DG
7.722
7.172
7.522
8.102
9.892
8.592
5.713
3.984
6.179
6.820
7.909
9.904
NZ
CD
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
OP2
O6
O4
O4
O3'
C3'
OP2
N7
N6
N4
O6
6nzo 2 P62799 100.0 4e-68 EM
2019-08-28 LYS B:32 B:31 100.0 0.5 H -54.9 -52.5 100.0 0.5 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
8.155
7.108
8.077
6.961
8.211
8.484
5.601
3.957
5.737
6.965
8.903
CD
CD
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
LYS F:32 F:31 105.0 0.525 H -58.5 -46.1 105.0 0.525 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
8.499
5.842
4.432
5.582
7.288
9.357
8.829
7.724
8.807
8.849
C
N
N
NZ
NZ
NZ
CD
CD
CD
NZ
O3'
C3'
OP2
OP2
N4
N6
C2'
OP2
C7
O6
6o1d 2 P62805 100.0 4e-68 EM
2019-05-22 LYS B:32 B:31 108.0 0.54 H -64.5 -49.0 108.0 0.54 0.0 DG
DA
DA
DA
DC
DT
DT
DG
DG
DA
DG
DT
9.334
6.600
5.678
6.958
7.366
9.666
8.942
5.640
4.112
7.285
6.849
7.812
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
C2'
OP2
N6
N4
O4
O3'
C3'
OP1
N7
O6
O4
LYS F:32 F:31 98.0 0.49 H -69.2 -37.1 98.0 0.49 0.0 DG
DC
DA
DT
DG
DT
DG
DA
DA
DC
DT
8.782
6.210
4.329
6.361
8.502
9.073
7.536
6.191
8.260
8.802
9.769
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
N
O3'
C3'
OP2
C7
O6
O4
C2'
OP2
N6
N4
OP1
6o22 5 P62799 100.0 4e-68 NMR
SOLUTION SCATTERING
2019-07-31 LYS F:32 F:31 96.0 0.48 H -58.1 -43.9 96.0 0.48 0.0
6o96 2 P62799 100.0 4e-68 EM
2019-04-24 LYS B:32 B:31 108.0 0.54 H -64.9 -39.1 108.0 0.54 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
8.601
6.287
5.795
7.659
8.495
8.636
5.795
3.909
7.502
7.718
8.118
NZ
NZ
CE
NZ
CE
C
N
N
CD
NZ
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
OP2
O6
N4
LYS F:32 F:31 111.0 0.555 H -70.2 -37.7 111.0 0.555 0.0 DA
DA
DC
DG
DC
DA
DC
DA
DC
DG
DT
DG
8.714
5.712
4.166
7.699
6.924
8.035
9.706
9.248
6.291
5.538
6.539
8.132
C
N
N
CE
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
N4
O3'
C2'
OP2
C7
O6
6om3 2 P62799 100.0 4e-68 X-RAY
2019-07-10 LYS B:32 B:31 109.0 0.545 H -55.7 -47.8 109.0 0.545 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
9.119
6.505
5.763
7.432
7.948
9.798
8.582
5.758
3.833
6.932
7.065
7.775
9.742
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
O6
LYS F:32 F:31 44.0 NA H -63.0 -43.9 44.0 NA NA DA
DA
DC
DG
DC
DG
DT
8.601
5.796
4.066
8.407
9.971
8.832
9.957
C
N
N
CB
CB
O
CB
O3'
C3'
OP2
OP2
N4
OP2
C7
LYS N:32 N:31 104.0 0.52 H -60.3 -48.1 NA NA NA
LYS R:32 R:31 107.0 0.535 H -60.4 -44.4 NA NA NA
6pa7 2 P62799 100.0 4e-68 EM
2020-06-17 LYS B:32 B:31 101.0 0.505 H -60.6 -42.7 101.0 0.505 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
9.193
6.467
5.923
7.513
8.060
8.652
5.776
3.992
7.373
7.977
8.155
NZ
NZ
NZ
NZ
NZ
C
N
N
CD
NZ
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
OP2
O6
N4
LYS F:32 F:31 115.0 0.575 H -61.6 -43.1 115.0 0.575 0.0 DA
DA
DC
DG
DC
DA
DC
DA
DC
DG
DT
DG
8.346
5.445
3.878
7.597
7.346
8.298
9.726
8.486
6.455
5.855
7.167
8.582
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
N4
O3'
C2'
OP2
C7
O6
6pwv 5 P62799 100.0 4e-68 EM
2019-12-18 LYS E:32 H:31 89.0 0.445 H -53.3 -40.1 89.0 0.445 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
7.465
6.207
7.063
7.132
8.537
8.935
5.794
4.367
6.396
6.826
7.548
9.798
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
OP2
O6
N4
O6
O3'
O3'
OP2
C5
O6
N4
O6
LYS I:32 L:31 88.0 0.44 H -53.3 -40.1 88.0 0.44 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
9.400
6.207
4.442
6.049
6.659
8.158
7.890
6.146
5.670
7.181
8.673
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
N7
N4
N6
C2'
OP2
C7
O6
N4
6pww 5 P62799 100.0 4e-68 EM
2019-12-18 LYS E:32 H:31 97.0 0.485 H -49.4 -42.9 97.0 0.485 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
8.245
6.758
6.631
6.456
7.825
8.904
5.659
3.963
5.556
6.032
7.392
NZ
CD
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
O6
N4
O6
O3'
O3'
OP2
N4
O6
N4
LYS M:32 L:31 96.0 0.48 H -49.5 -42.8 96.0 0.48 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
DG
9.220
6.044
4.286
5.367
6.489
8.349
8.546
6.682
5.912
7.126
8.020
9.438
C
N
N
NZ
NZ
NZ
NZ
CD
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
C2'
OP2
C7
O6
N4
O6
6pwx 3 P62799 100.0 4e-68 EM
2019-12-18 LYS C:32 H:31 99.0 0.495 H -53.4 -49.0 99.0 0.495 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
8.894
7.142
7.281
6.539
7.813
8.747
5.648
3.911
5.255
6.070
8.303
NZ
CD
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
LYS K:32 L:31 101.0 0.505 H -53.5 -48.9 101.0 0.505 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
DG
8.846
5.823
4.632
5.319
6.248
8.389
8.860
6.738
6.229
6.799
7.984
8.915
C
N
N
NZ
NZ
NZ
NZ
CD
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
C2'
OP2
C7
O6
N4
O6
6px1 2 P62799 100.0 4e-68 EM
2019-08-28 LYS B:32 B:31 103.0 0.515 H -63.7 -43.8 103.0 0.515 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
6.879
5.646
7.364
7.542
9.506
8.562
5.936
4.214
6.598
7.322
8.288
NZ
NZ
NZ
NZ
NZ
C
N
N
CE
NZ
NZ
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
LYS F:32 F:31 111.0 0.555 H -58.5 -40.6 111.0 0.555 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.589
6.036
4.313
6.803
6.181
7.816
9.337
6.813
5.985
6.618
7.445
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
O3'
C2'
OP2
C7
O6
6px3 2 P62799 100.0 4e-68 EM
2019-08-28 LYS B:32 B:31 101.0 0.505 H -54.9 -52.5 101.0 0.505 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
8.156
7.109
8.077
6.961
8.211
8.484
5.601
3.957
5.737
6.965
8.903
CD
CD
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
LYS F:32 F:31 105.0 0.525 H -58.5 -46.1 105.0 0.525 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
8.498
5.842
4.432
5.582
7.287
9.357
8.830
7.724
8.807
8.849
C
N
N
NZ
NZ
NZ
CD
CD
CD
NZ
O3'
C3'
OP2
OP2
N4
N6
C2'
OP2
C7
O6
6r0c 2 P62805 100.0 4e-68 EM
2019-09-25 LYS B:32 B:31 114.0 0.57 H -61.2 -41.1 114.0 0.57 0.0 DC
DA
DG
DC
DC
DA
DC
DC
DT
DG
8.823
5.979
4.423
6.966
7.957
9.382
8.472
7.900
8.601
9.442
C
N
N
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
OP2
OP2
C7
O6
LYS F:32 F:31 106.0 0.53 H -59.7 -42.3 106.0 0.53 0.0 DT
DG
DT
DC
DT
DG
DT
DA
DA
DG
DA
8.977
7.623
7.451
8.348
9.990
8.935
6.287
4.547
6.293
7.770
8.778
NZ
NZ
NZ
NZ
NZ
N
N
CB
CE
NZ
NZ
C2'
OP2
C7
N4
O4
O3'
C3'
OP2
OP2
O6
N6
6r8y 5 P62805 100.0 4e-68 EM
2019-06-12 LYS F:32 F:32 106.0 0.53 H -60.1 -56.3 106.0 0.53 0.0 DG
DA
DA
DC
DA
DG
DC
DA
DT
DG
DT
7.035
5.947
7.533
6.180
7.509
9.285
5.432
4.575
3.244
6.539
8.492
HD2
HD2
HZ3
HZ3
HZ1
C
H
H
HZ1
HZ3
HZ3
H2''
OP2
H61
H41
H61
O3'
H3'
OP2
H72
O6
O4
6rny 2 P62805 100.0 4e-68 EM
2019-09-25 LYS B:32 B:31 117.0 0.585 H -65.1 -39.4 117.0 0.585 0.0 DC
DA
DG
DC
DC
DA
DC
DC
DT
DG
DG
8.154
4.868
3.299
5.301
5.798
8.077
9.172
8.406
7.030
7.142
9.056
N
N
N
NZ
NZ
CE
CE
CE
CE
CE
NZ
O3'
O3'
OP1
C5
N4
N6
C2'
C5
C7
O6
O6
LYS F:32 F:31 119.0 0.595 H -65.0 -39.4 119.0 0.595 0.0 DG
DT
DC
DT
DG
DG
DT
DA
DA
DG
DA
9.046
7.789
8.290
9.181
9.261
7.554
5.246
3.227
5.067
7.673
9.117
CE
CE
CE
NZ
N
C
NZ
NZ
NZ
CE
CE
N7
C7
N4
O4
OP1
O3'
C2'
OP2
N7
O6
N6
6ryr 2 P62799 100.0 4e-68 EM
2020-07-15 LYS B:32 B:31 113.0 0.565 H -54.4 -48.8 113.0 0.565 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.631
5.883
4.158
7.842
6.324
7.988
9.696
6.467
5.297
5.865
7.653
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
N7
N4
N6
C2'
C2'
OP2
C7
O6
LYS F:32 F:31 104.0 0.52 H -56.8 -48.0 104.0 0.52 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
9.898
7.723
6.093
7.212
7.714
9.213
8.556
5.771
3.894
7.010
7.579
8.930
CE
CE
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
C3'
OP2
O6
N4
O6
O3'
C3'
OP2
N4
O6
N4
6ryu 2 P62799 100.0 4e-68 EM
2020-07-15 LYS B:32 B:31 120.0 0.6 H -66.8 -43.3 120.0 0.6 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.543
5.683
4.092
7.097
7.410
8.610
9.598
7.519
6.704
7.737
8.689
C
N
N
CD
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
O3'
O5'
OP2
C7
O6
LYS F:32 F:31 117.0 0.585 H -66.8 -43.2 117.0 0.585 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
9.622
7.277
6.440
7.834
9.270
8.877
5.732
3.924
7.431
7.934
8.015
9.897
NZ
NZ
CE
NZ
NZ
N
N
N
CD
NZ
NZ
NZ
O3'
OP2
OP2
O6
N4
O3'
C3'
OP2
OP2
N7
N4
O6
6se0 2 P62805 100.0 4e-68 EM
2019-08-14 LYS B:32 B:31 92.0 0.46 H -64.9 -44.1 92.0 0.46 0.0 DA
DA
DC
DG
DC
DC
DG
DT
8.790
5.775
3.963
5.459
9.388
9.029
8.480
9.902
C
N
N
NZ
CD
CE
O
CB
O3'
C3'
OP2
OP2
N4
OP2
OP2
C7
LYS F:32 F:31 124.0 0.62 H -70.5 -31.1 124.0 0.62 0.0 DC
DA
DA
DA
DC
DG
8.403
8.648
5.619
3.529
5.091
9.362
O
C
N
CG
NZ
CD
OP2
O3'
C3'
OP2
OP2
N7
6se6 2 P62805 100.0 4e-68 EM
2019-08-14 LYS B:32 B:31 103.0 0.515 H -65.9 -34.9 103.0 0.515 0.0 DA
DA
DC
DG
DC
DC
DG
DT
9.092
6.322
4.261
5.918
9.130
9.041
8.103
9.514
C
N
N
NZ
CD
CE
O
CD
O3'
C3'
OP2
OP2
N4
OP2
OP2
C7
LYS F:32 F:31 90.0 0.45 H -61.0 -44.3 90.0 0.45 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
8.445
6.760
8.539
8.413
9.933
8.863
6.007
4.160
7.127
8.337
9.508
NZ
NZ
NZ
NZ
NZ
C
N
N
CE
CE
CE
C2'
OP2
N7
N4
O6
O3'
C3'
OP2
C5
O6
N4
6see 2 P62805 100.0 4e-68 EM
2019-08-14 LYS B:32 B:31 107.0 0.535 H -61.9 -42.4 107.0 0.535 0.0 DC
DC
DA
DA
DA
DC
9.794
8.207
8.991
6.014
4.093
5.406
CD
O
C
N
N
NZ
C5'
OP2
O3'
C3'
OP2
OP2
LYS F:32 F:31 114.0 0.57 H -59.4 -45.0 114.0 0.57 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
9.346
6.419
4.418
7.843
7.736
8.951
9.667
6.553
4.959
6.230
8.443
C
N
N
CD
NZ
NZ
CE
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
O3'
C2'
OP2
C7
O6
6sef 2 P62805 100.0 4e-68 EM
2019-08-14 LYS B:32 B:31 113.0 0.565 H -62.8 -44.4 113.0 0.565 0.0 DA
DA
DC
DG
DC
DC
DG
DT
8.553
5.948
4.276
5.362
9.015
8.889
8.495
9.439
C
N
N
NZ
CD
CE
O
CD
O3'
C3'
OP2
OP2
N4
OP2
OP2
C7
LYS F:32 F:31 115.0 0.575 H -66.0 -47.6 115.0 0.575 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
8.155
7.386
8.157
8.618
9.512
8.918
6.206
4.312
6.055
7.680
8.560
CD
CD
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
O6
N4
O6
O3'
O3'
OP2
C5
O6
N4
6seg 2 P62805 100.0 4e-68 EM
2019-08-14 LYS B:32 B:31 105.0 0.525 H -63.1 -34.9 105.0 0.525 0.0 DA
DA
DC
DG
DC
DC
DG
DT
8.595
5.789
4.179
6.100
9.942
9.290
8.168
9.578
C
N
N
NZ
CD
CD
O
O
O3'
C3'
OP2
OP2
N4
OP2
OP2
C7
LYS F:32 F:31 91.0 0.455 H -64.8 -42.1 91.0 0.455 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
9.738
7.192
5.568
7.344
7.523
9.169
8.554
5.711
3.956
7.384
7.628
8.690
CE
CE
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
CE
O3'
C2'
OP2
N7
N4
O6
O3'
C3'
OP2
N4
O6
N4
6t79 2 P62805 100.0 4e-68 EM
2020-04-29 LYS B:32 B:31 106.0 0.53 H -63.9 -40.7 106.0 0.53 0.0 DT
DC
DT
DT
DT
DG
DT
DA
DA
DA
DC
DA
8.804
6.331
4.466
7.440
7.379
8.411
9.863
8.107
5.771
5.296
7.126
8.344
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
C7
O4
O6
O4
O3'
OP2
OP2
N4
N6
LYS F:32 F:31 119.0 0.595 H -63.2 -36.9 119.0 0.595 0.0 DT
DT
DT
DA
DT
DC
DA
DA
DA
DA
DT
9.833
7.904
6.263
7.873
8.582
8.682
6.179
4.966
6.437
7.331
8.048
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
C7
C7
N6
O4
O3'
C3'
OP2
OP2
N6
O4
6t7a 2 P62805 100.0 4e-68 EM
2020-04-29 LYS B:32 B:31 109.0 0.545 H -70.1 -43.0 109.0 0.545 0.0 DT
DC
DT
DT
DT
DG
DA
DA
DA
DC
DA
8.784
5.925
3.997
6.718
7.532
9.023
9.151
6.950
6.101
8.108
8.909
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
C7
C7
O6
O3'
OP2
OP2
N4
N6
LYS F:32 F:31 115.0 0.575 S -75.5 -38.0 115.0 0.575 0.0 DT
DT
DA
DT
DC
DA
DA
DA
DA
DT
8.431
7.277
7.773
7.999
9.000
6.404
4.363
5.899
6.778
7.942
CD
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
OP2
C7
N6
O4
O3'
C3'
OP2
N7
N6
O4
6t7b 2 P62805 100.0 4e-68 EM
2020-04-29 LYS B:32 B:31 69.0 NA H -70.1 -43.0 69.0 NA NA DT
DC
DT
DT
DA
8.785
5.925
3.997
9.174
7.996
C
N
N
C
O
O3'
C3'
OP2
C7
OP2
LYS F:32 F:31 70.0 NA S -75.4 -37.9 70.0 NA NA DT
DC
DA
DA
DA
8.349
9.001
6.405
4.363
9.640
O
N
N
N
N
OP2
O3'
C3'
OP2
OP2
6t7c 2 P62805 100.0 4e-68 EM
2020-04-29 LYS B:32 B:31 105.0 0.525 H -70.5 -43.4 105.0 0.525 0.0 DT
DC
DT
DT
DT
DG
DA
DA
DA
DC
DA
8.849
5.948
4.123
6.797
7.601
9.010
9.165
6.952
6.061
8.095
8.876
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
C7
C7
O6
O3'
OP2
OP2
N4
N6
LYS F:32 F:31 114.0 0.57 S -75.4 -38.3 114.0 0.57 0.0 DT
DT
DA
DT
DC
DA
DA
DA
DA
DT
8.367
7.363
7.747
7.987
9.065
6.503
4.480
5.975
6.783
7.874
CD
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
OP2
C7
N6
O4
O3'
C3'
OP2
OP2
N6
O4
6t7d 2 P62805 100.0 4e-68 EM
2020-04-29 LYS B:32 B:31 72.0 NA H -56.4 -46.0 72.0 NA NA DT
DC
DT
DT
DA
8.750
5.799
4.213
9.170
9.657
C
N
N
C
O
O3'
C3'
OP2
C7
OP2
LYS F:32 F:31 70.0 NA H -62.6 -36.5 70.0 NA NA DT
DC
DA
DA
DA
8.792
9.074
6.627
4.600
9.551
O
C
N
N
N
OP2
O3'
C3'
OP2
OP2
6tem 2 P62799 100.0 4e-68 EM
2020-04-08 LYS B:32 B:31 111.0 0.555 H -74.0 -40.8 111.0 0.555 0.0 DA
DA
DC
DG
DC
DC
DG
DT
DG
8.714
5.439
4.180
5.871
8.086
8.970
7.517
8.380
9.983
N
N
N
NZ
NZ
CE
CE
CE
NZ
O3'
C3'
OP2
OP2
N4
OP2
OP2
C7
O6
LYS F:32 F:31 97.0 0.485 H -71.8 -46.7 97.0 0.485 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
8.013
6.981
7.590
8.104
9.632
8.759
5.548
3.855
6.084
7.454
8.457
NZ
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
6upk 2 P62805 100.0 4e-68 EM
2019-12-11 LYS B:32 B:31 118.0 0.59 H -42.0 -43.3 118.0 0.59 0.0 DA
DA
DC
DG
DC
DA
DC
DA
DC
DG
DT
DG
9.068
5.932
4.363
7.306
7.920
8.327
9.323
7.738
5.106
4.433
6.695
8.835
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP1
N7
N4
N6
N4
O3'
C2'
OP2
C7
O6
LYS F:32 F:31 96.0 0.48 H -39.8 -45.0 96.0 0.48 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
7.884
5.709
6.928
9.810
8.944
8.847
5.712
3.711
5.896
8.148
NZ
NZ
NZ
CE
CE
C
N
N
CD
CE
O3'
C5'
OP2
O6
N4
O3'
C3'
OP2
OP2
O6
6upl 2 P62805 100.0 4e-68 EM
2019-12-11 LYS B:32 B:31 108.0 0.54 H -48.3 -38.4 108.0 0.54 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
7.322
5.163
3.972
7.726
9.351
9.311
9.544
7.199
6.446
7.313
C
C
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
O3'
OP1
OP1
OP2
N4
N6
O3'
OP2
OP2
C7
LYS F:32 F:31 115.0 0.575 H -44.5 -56.1 115.0 0.575 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
9.046
5.255
3.348
7.331
8.701
9.985
7.154
4.759
3.111
8.193
9.615
9.927
CE
NZ
NZ
NZ
NZ
NZ
C
N
N
CB
NZ
NZ
O3'
C3'
OP2
N7
N4
O6
O3'
O3'
OP1
OP2
O6
N4
6v92 24 P62805 100.0 4e-68 EM
2020-01-15 LYS CA:32 b:31 110.0 0.55 H -61.8 -49.4 110.0 0.55 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
8.857
6.158
4.511
6.336
7.896
8.523
9.532
6.467
5.678
7.747
8.269
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
LYS GA:32 f:31 119.0 0.595 H -52.9 -50.6 119.0 0.595 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
9.840
6.578
5.635
6.905
7.323
9.548
9.096
6.018
4.146
6.704
6.286
7.829
9.686
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
6vz4 2 P62799 100.0 4e-68 EM
2020-12-02 LYS B:32 B:32 123.0 0.615 H -54.3 -47.9 123.0 0.615 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
9.006
6.798
6.053
7.243
7.993
9.093
5.902
4.062
7.103
7.307
7.299
9.545
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
O6
LYS F:32 F:32 117.0 0.585 H -53.2 -49.9 117.0 0.585 0.0 DA
DA
DC
DG
DC
DA
DC
DA
DC
DG
DT
DG
8.842
5.919
4.020
7.309
6.677
7.462
9.950
9.510
6.814
5.699
6.254
7.615
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
O3'
OP2
N7
N4
N6
N4
O3'
C2'
OP2
C7
O6
6w5i 6 P62799 100.0 4e-68 EM
2021-03-31 LYS F:32 H:31 87.0 0.435 H -53.5 -40.0 87.0 0.435 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
9.995
6.941
5.730
6.699
6.942
8.554
8.619
5.431
4.066
6.051
6.562
7.445
9.793
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O6
O3'
O3'
OP2
N4
O6
N4
O6
LYS J:32 L:31 88.0 0.44 H -53.3 -40.2 88.0 0.44 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
9.475
6.287
4.581
6.112
7.043
8.582
7.623
5.978
6.188
7.953
9.573
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP1
N7
N4
N6
C2'
OP2
C7
O6
N4
6w5m 6 P62799 100.0 4e-68 EM
2021-03-31 LYS F:32 H:31 88.0 0.44 H -53.3 -40.2 88.0 0.44 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
9.864
6.806
5.567
6.818
7.112
8.778
9.070
5.980
4.501
6.564
6.885
7.561
9.744
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O6
O3'
O3'
OP2
N4
O6
N4
O6
LYS J:32 L:31 87.0 0.435 H -53.3 -40.1 87.0 0.435 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
9.468
6.369
4.593
6.271
6.775
8.207
7.553
5.739
5.671
7.521
9.093
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
N7
N4
N6
C2'
OP2
C7
O6
N4
6w5n 6 P62799 100.0 4e-68 EM
2021-03-31 LYS F:32 H:31 89.0 0.445 H -53.2 -40.3 89.0 0.445 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
9.976
7.072
6.004
6.851
7.181
8.689
8.816
5.639
4.169
6.145
6.564
7.334
9.635
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O6
O3'
O3'
OP2
C5
O6
N4
O6
LYS J:32 L:31 88.0 0.44 H -53.2 -40.2 88.0 0.44 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
9.370
6.219
4.470
6.111
6.709
8.204
7.382
5.697
5.557
7.376
9.058
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
N7
N4
N6
C2'
OP2
C7
O6
N4
6wkr 10 P62799 100.0 4e-68 EM
2021-02-03 LYS J:32 J:31 102.0 0.51 H -53.6 -44.4 102.0 0.51 0.0 DA
DA
DC
DG
DC
DG
DG
DC
DC
DC
DC
DG
9.251
6.500
4.775
8.117
7.688
8.209
9.454
9.955
6.984
6.404
7.228
8.528
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
OP2
N4
O6
O6
O3'
C2'
OP2
N4
O6
LYS N:32 Q:31 93.0 0.465 H -62.5 -48.8 93.0 0.465 0.0 DC
DG
DT
DG
DC
DA
DA
DA
DC
DG
DC
9.422
6.617
5.502
7.425
8.005
8.966
6.357
4.544
8.623
8.475
8.124
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O3'
O3'
OP2
C5
O6
N4
6y5d 2 P62805 100.0 4e-68 EM
2020-09-23 LYS B:32 B:32 101.0 0.505 H -59.1 -52.7 101.0 0.505 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
8.461
5.689
4.095
7.727
7.669
9.030
7.638
6.242
7.264
8.778
N
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
C3'
OP2
C7
O6
LYS F:32 F:32 113.0 0.565 H -63.0 -49.9 113.0 0.565 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
8.807
6.693
5.472
8.095
9.088
8.567
5.914
4.353
8.083
8.311
8.814
NZ
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
O3'
C3'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
LYS N:32 N:32 103.0 0.515 H -58.7 -52.6 103.0 0.515 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
9.756
6.677
4.886
7.332
8.318
9.578
9.819
7.620
7.220
8.760
9.912
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
O3'
OP2
OP2
N4
N6
O3'
OP2
OP2
C7
O6
LYS R:32 R:32 107.0 0.535 H -58.9 -52.8 107.0 0.535 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
8.687
6.374
5.069
7.129
8.211
9.047
6.051
4.185
7.566
7.449
7.934
9.457
NZ
NZ
CE
NZ
NZ
N
N
N
NZ
NZ
NZ
NZ
O3'
C3'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
O6
6zhx 2 P62799 100.0 4e-68 EM
2020-12-23 LYS B:32 B:31 109.0 0.545 H -48.0 -49.5 109.0 0.545 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DA
DC
DG
DT
DG
DC
8.826
4.749
3.317
5.970
4.660
6.508
8.520
9.755
7.741
4.728
4.711
5.156
7.032
8.434
C
H
H
HZ3
HZ3
HZ3
HZ1
HZ1
HZ1
HZ1
HZ1
HZ1
HZ3
HZ3
O3'
H3'
OP2
N7
H42
H61
H41
H21
H2''
H2'
OP2
H71
O6
H41
LYS F:32 F:31 107.0 0.535 H -48.6 -49.1 107.0 0.535 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
7.763
4.421
3.458
6.929
6.344
9.467
8.833
4.940
3.560
5.936
6.808
7.068
9.442
HZ2
HZ1
HZ1
HE2
HE3
HE3
C
H
H
HE2
HE2
HE2
HZ1
H2''
H2''
OP2
O6
H42
O6
O3'
H3'
OP2
H5
O6
H42
H1
6zhy 2 P62799 100.0 4e-68 EM
2020-12-23 LYS B:32 B:31 107.0 0.535 H -49.1 -49.1 107.0 0.535 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DA
DC
DG
DT
DG
DC
8.697
4.725
3.441
6.782
5.369
6.483
8.167
9.303
7.182
4.644
4.409
4.413
7.557
8.683
C
H
H
HD3
HZ3
HZ1
HZ1
HZ1
HZ2
HZ1
HZ1
HZ1
HZ1
HE2
O3'
H3'
OP2
H8
H42
H62
H41
H1
O3'
H2'
H8
H71
O6
H41
LYS F:32 F:31 114.0 0.57 H -41.0 -54.9 114.0 0.57 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
DG
7.820
4.328
3.489
6.529
6.012
9.173
8.882
5.066
3.625
5.454
6.286
6.817
9.280
9.892
HZ2
HZ1
HZ1
HE2
HE2
HE2
C
H
H
HD3
HE2
HE2
HZ1
HZ1
H2''
H2''
OP2
O6
H42
O6
O3'
H3'
OP2
H5
O6
H42
H1
H21
7dbp 3 P62805 100.0 4e-68 EM
2020-12-23 LYS C:32 B:31 93.0 0.465 H -68.0 -46.3 93.0 0.465 0.0 DA
DA
DA
DC
DG
DC
DG
DT
DG
DC
9.145
6.609
4.789
8.883
7.121
9.432
6.753
4.981
9.242
8.862
C
N
N
CD
CE
NZ
NZ
NZ
CE
CE
O3'
C3'
OP2
N4
O6
O3'
O3'
OP2
N7
N4
LYS G:32 F:31 93.0 0.465 H -68.0 -46.4 93.0 0.465 0.0 DC
DC
DC
DC
DG
DA
DA
DC
DG
DC
DG
9.144
6.566
5.613
8.835
9.464
9.656
7.337
5.540
8.782
8.580
9.978
NZ
NZ
NZ
CE
CE
C
N
N
CD
CE
CE
O3'
C2'
OP2
N4
O6
O3'
C3'
OP2
N7
N4
O6
7jo9 2 P62805 100.0 4e-68 EM
2020-09-16 LYS B:32 B:31 112.0 0.56 H -79.0 -42.8 112.0 0.56 0.0 DA
DA
DA
DC
DG
DC
DC
DC
DG
DC
DG
8.929
6.056
4.801
7.600
7.761
8.627
7.213
6.301
8.065
8.469
9.995
N
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C5
O6
N4
C2'
OP2
O6
N4
O6
LYS F:32 F:31 102.0 0.51 H -76.3 -47.3 102.0 0.51 0.0 DA
DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
9.966
7.756
6.943
7.824
8.540
8.773
5.953
4.488
7.715
7.364
8.931
NZ
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
O3'
C2'
OP2
C7
O6
O3'
C3'
OP2
OP2
N4
N6
7joa 2 P62805 100.0 4e-68 EM
2020-09-16 LYS B:32 B:31 106.0 0.53 H -81.6 -43.4 106.0 0.53 0.0 DA
DA
DA
DC
DG
DC
DC
DC
DG
DC
DG
8.924
6.075
4.827
7.727
7.999
8.878
7.300
6.422
8.338
8.701
9.987
N
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C5
O6
N4
C2'
OP2
O6
N4
O6
LYS F:32 F:31 103.0 0.515 H -79.5 -46.4 103.0 0.515 0.0 DA
DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
9.773
7.650
6.840
7.808
8.718
8.817
6.040
4.583
7.672
7.563
9.015
NZ
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
O3'
C2'
OP2
C7
O6
O3'
C3'
OP2
OP2
N4
N6
7k5x 2 P62805 100.0 4e-68 EM
2020-11-25 LYS B:32 B:31 110.0 0.55 H -54.3 -45.6 110.0 0.55 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
8.267
7.205
7.492
7.980
9.244
8.432
5.929
4.252
5.864
6.967
7.831
NZ
CD
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
LYS F:32 F:31 98.0 0.49 H -53.2 -52.4 98.0 0.49 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.486
5.981
4.350
7.790
7.474
8.822
9.593
6.937
5.120
6.285
7.925
C
N
CB
CD
NZ
NZ
CE
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
O3'
C2'
OP2
C7
O6
7k5y 2 P62805 100.0 4e-68 EM
2020-11-25 LYS B:32 B:31 100.0 0.5 H -56.0 -48.1 100.0 0.5 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
7.894
6.805
7.840
7.564
9.090
8.546
5.941
4.300
6.786
7.300
8.804
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
LYS F:32 F:31 103.0 0.515 H -54.5 -47.1 103.0 0.515 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
8.546
5.965
4.569
6.668
6.897
8.835
8.340
6.776
6.630
7.443
9.045
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
C2'
OP2
C7
O6
N4
7k60 2 P62805 100.0 4e-68 EM
2020-11-25 LYS B:32 B:31 105.0 0.525 H -54.3 -51.7 105.0 0.525 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
8.532
7.564
7.929
7.774
9.239
8.472
5.707
4.132
5.304
6.616
7.905
CD
CD
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
LYS F:32 F:31 98.0 0.49 H -57.3 -41.1 98.0 0.49 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
8.306
5.708
3.358
6.548
6.852
8.514
7.827
7.066
7.570
8.265
C
CG
CG
CD
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
OP2
N4
N6
C2'
OP2
C7
O6
7k61 2 P62805 100.0 4e-68 EM
2020-11-25 LYS B:32 B:31 107.0 0.535 H -53.4 -49.2 107.0 0.535 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
8.388
6.128
5.455
6.949
7.690
9.634
8.635
6.033
4.194
7.057
7.040
7.581
9.493
NZ
NZ
NZ
NZ
NZ
CE
C
N
N
CE
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
O6
LYS F:32 F:31 92.0 0.46 H -56.8 -44.1 92.0 0.46 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
8.512
5.888
4.270
7.282
7.018
8.713
7.214
5.709
5.909
7.292
9.270
C
N
N
NZ
NZ
NZ
CE
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
C2'
OP2
C7
O6
N4
7k63 2 P62805 100.0 4e-68 EM
2020-11-25 LYS B:32 B:31 98.0 0.49 H -53.8 -48.1 98.0 0.49 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
7.710
6.730
7.717
7.858
9.043
8.553
5.878
4.189
6.064
7.149
8.303
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
LYS F:32 F:31 81.0 0.405 H -54.3 -48.4 81.0 0.405 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
8.576
5.838
4.328
7.203
7.475
9.181
7.334
5.887
6.821
8.382
C
N
CB
CE
CE
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
C2'
OP2
C7
O6
7kbd 2 P62799 100.0 4e-68 EM
2021-09-15 LYS B:32 B:31 107.0 0.535 H -61.0 -49.8 107.0 0.535 0.0 DA
DA
DA
DC
DG
DC
DC
DC
DC
DG
DC
8.456
5.691
4.366
6.889
8.097
8.990
9.899
7.739
6.422
8.454
8.745
C
N
N
CE
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
O6
N4
O3'
C2'
OP2
O6
N4
LYS F:32 F:31 107.0 0.535 H -67.3 -39.9 107.0 0.535 0.0 DC
DG
DT
DG
DC
DA
DA
DC
DG
DC
DA
7.742
6.578
6.445
7.158
9.684
8.895
6.010
4.383
6.428
6.144
7.959
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
C7
O6
N4
O3'
C3'
OP2
N7
N4
N6
7kbe 2 P62799 100.0 4e-68 EM
2021-09-15 LYS B:32 B:31 95.0 0.475 H -55.3 -44.9 95.0 0.475 0.0 DA
DA
DA
DC
DG
DC
DC
DC
DG
DC
DG
8.394
5.926
4.212
7.332
7.809
9.294
7.798
6.075
8.321
7.955
9.608
N
N
N
CE
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C5
O6
N4
C2'
OP2
N7
N4
O6
LYS F:32 F:31 107.0 0.535 H -58.5 -42.7 107.0 0.535 0.0 DA
DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
9.085
6.690
5.376
6.410
7.948
8.421
6.033
4.605
8.100
7.253
8.632
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
C2'
OP2
C7
O6
O3'
C3'
OP1
N7
N4
N6
7kbf 2 P62799 100.0 4e-68 EM
2021-09-15 LYS B:32 B:31 116.0 0.58 H -50.5 -57.5 116.0 0.58 0.0 DA
DA
DC
DG
DC
DC
DG
DT
DG
8.320
5.524
3.752
6.905
8.805
8.358
7.529
8.659
9.775
C
N
CB
NZ
NZ
NZ
CD
CG
CG
O3'
O3'
OP2
OP2
N4
OP2
OP2
C7
O6
LYS F:32 F:31 76.0 0.38 H -31.9 -55.2 76.0 0.38 0.0 DC
DG
DT
DA
DA
DC
DG
DC
8.149
8.376
9.858
8.498
6.052
4.012
7.171
9.243
NZ
CD
CG
C
N
CB
CG
CG
OP2
OP2
C7
O3'
O3'
OP2
OP2
N4
7m1x 4 P62799 100.0 4e-68 EM
2021-09-29 LYS D:32 B:31 94.0 0.47 H -61.2 -46.3 94.0 0.47 0.0 DA
DA
DA
DC
DC
DC
8.421
5.785
4.647
6.769
9.455
8.607
C
N
CG
CE
NZ
O
O3'
C3'
OP2
OP2
OP2
OP2
LYS H:32 F:231 105.0 0.525 H -65.1 -44.1 105.0 0.525 0.0 DA
DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
8.092
6.341
6.043
7.284
8.302
8.669
5.795
4.113
7.384
7.055
8.447
NZ
NZ
CE
CE
NZ
C
N
N
CD
NZ
NZ
O3'
OP2
OP2
C7
O6
O3'
C3'
OP2
OP2
N4
N6
7mbm 6 P62799 100.0 4e-68 EM
2021-12-29 LYS F:32 H:31 109.0 0.545 T -132.9 34.8 109.0 0.545 0.0 DC
DG
DT
DA
DA
DC
DG
DC
8.934
7.882
9.451
8.997
6.487
4.898
7.154
8.720
NZ
NZ
NZ
C
N
N
CE
NZ
C2'
OP2
C7
O3'
O3'
OP2
OP2
N4
LYS J:32 L:31 121.0 0.605 H -67.9 -41.3 121.0 0.605 0.0 DA
DA
DA
DC
DG
DC
DC
DC
DC
DG
9.593
7.209
5.237
8.103
9.118
9.594
9.309
7.431
6.766
8.993
C
N
N
CD
NZ
NZ
NZ
NZ
CE
NZ
O3'
O3'
OP2
OP2
O6
N4
O3'
C2'
OP2
O6
7mbn 6 P62799 100.0 4e-68 EM
2021-12-29 LYS F:32 H:31 86.0 0.43 H -53.4 -40.1 86.0 0.43 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
7.525
6.331
6.520
6.508
7.890
8.460
5.193
3.685
5.728
6.155
7.063
9.438
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
OP2
O6
N4
O6
O3'
O3'
OP2
N4
O6
N4
O6
LYS J:32 L:31 87.0 0.435 H -53.3 -40.2 87.0 0.435 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
9.192
5.896
4.051
5.773
6.296
7.864
7.869
6.136
5.429
6.880
8.388
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
N7
N4
N6
C2'
OP2
C7
O6
N4
7nkx 12 P62799 100.0 4e-68 EM
2021-08-25 LYS L:32 b:31 104.0 0.52 H -54.8 -42.0 104.0 0.52 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
DC
8.277
5.564
3.968
7.812
7.353
8.074
9.210
6.692
4.388
5.719
7.906
9.915
C
N
N
CD
CE
NZ
NZ
NZ
NZ
NZ
CE
CE
O3'
C3'
OP2
OP2
N4
N6
O3'
C3'
OP2
C7
O6
N4
LYS P:32 f:31 97.0 0.485 H -61.3 -49.2 97.0 0.485 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
9.426
6.573
5.452
7.894
8.094
9.622
8.660
5.929
4.001
6.900
7.681
9.178
NZ
NZ
NZ
NZ
CE
CE
C
N
N
CE
CE
NZ
O3'
C3'
OP2
N7
N4
O6
O3'
O3'
OP2
C5
O6
N4
7nky 21 P62799 100.0 4e-68 EM
2021-07-07 LYS U:32 b:31 107.0 0.535 H -56.5 -48.9 107.0 0.535 0.0 DC
DG
DT
DG
DC
DA
DA
DC
DG
DC
DA
7.798
6.445
5.989
7.214
8.923
8.986
6.091
4.343
6.639
6.689
8.425
CD
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
C2'
OP2
C7
O6
N4
O3'
O3'
OP2
N7
N4
N6
LYS Y:32 f:31 93.0 0.465 H -60.1 -47.7 93.0 0.465 0.0 DA
DA
DA
DC
DG
DC
DG
DC
DC
DC
DG
DC
9.614
6.722
4.547
7.808
7.300
7.600
8.624
8.749
5.511
5.308
6.980
7.928
C
N
N
CE
NZ
NZ
NZ
NZ
NZ
CE
NZ
CE
O3'
O3'
OP2
C5
O6
N4
O6
C2'
C2'
OP2
O6
N4
7nl0 2 P62805 100.0 4e-68 EM
2021-08-11 LYS B:32 B:31 99.0 0.495 H -56.1 -48.1 99.0 0.495 0.0 DT
DG
DA
DA
DT
DA
DA
DT
DT
DT
DA
8.550
5.702
4.126
7.574
7.631
9.534
9.470
7.234
5.889
7.367
8.554
C
N
N
CD
NZ
CE
NZ
NZ
CE
CE
CE
O3'
C3'
OP2
N7
C7
N6
O3'
OP2
OP2
C7
N6
LYS F:32 F:31 113.0 0.565 H -58.4 -43.6 113.0 0.565 0.0 DG
DA
DA
DG
DG
DT
DC
DT
DT
DC
DC
8.920
7.139
6.494
7.698
8.497
8.613
6.235
4.361
5.863
7.081
8.380
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
C2'
OP2
O6
O6
O3'
C3'
OP2
C7
N4
N4
7otq 3 P62799 100.0 4e-68 EM
2021-09-15 LYS C:32 B:31 116.0 0.58 H -47.4 -56.3 116.0 0.58 0.0 DA
DA
DC
DG
DC
DA
DC
DA
DC
DG
DT
DG
DC
9.222
5.249
3.356
5.956
5.394
6.921
8.633
8.014
5.334
5.680
5.146
7.463
8.936
HB3
H
H
HZ2
HZ2
HZ1
HZ1
HZ1
HZ1
HZ1
HZ1
HZ1
HZ2
H2''
H3'
OP2
H8
H42
H61
H41
O3'
H2''
OP2
H72
O6
H41
LYS G:32 F:31 114.0 0.57 H -49.5 -55.0 114.0 0.57 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
DG
7.853
5.572
5.320
6.865
7.099
9.259
8.400
5.076
3.432
5.547
7.134
6.436
9.004
9.438
HZ1
HZ1
HZ1
HZ1
HZ3
HZ3
C
H
H
HZ3
HZ3
HZ1
HZ1
HZ1
O3'
H5
OP2
O6
H41
O6
O3'
H3'
OP2
H5
O6
H42
H1
H21
3a6n 2 P62805 100.0 4e-68 X-RAY
2010-05-26 LYS B:35 B:31 107.0 0.535 H -54.2 -64.0 107.0 0.535 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
DA
HOH
8.868
6.198
4.448
6.141
7.026
7.994
9.717
6.136
5.184
6.895
7.353
9.997
4.194
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CE
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
N6
O
LYS F:35 F:31 119.0 0.595 H -55.0 -46.4 119.0 0.595 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
HOH
9.499
6.502
5.663
7.100
7.600
9.001
6.037
4.177
6.964
6.223
7.778
9.575
2.864
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
C7
O4
N4
O
3afa 2 P62805 100.0 4e-68 X-RAY
2010-05-26 LYS B:35 B:31 105.0 0.525 H -49.5 -63.9 105.0 0.525 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
HOH
9.095
6.394
4.748
6.103
7.005
8.207
9.914
6.407
5.351
6.930
7.066
4.421
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CE
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
O
LYS F:35 F:31 123.0 0.615 H -57.1 -50.3 123.0 0.615 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
HOH
9.538
6.410
5.625
7.068
7.645
9.078
6.128
4.425
7.105
6.502
7.859
9.653
2.843
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
C7
O4
N4
O
3an2 2 B2R4R0 100.0 4e-68 X-RAY
2011-07-20 LYS B:35 B:31 129.0 0.645 S -106.5 -63.5 129.0 0.645 0.0 DT
DT
DC
DT
DT
DT
DA
DC
DA
DA
DG
8.088
5.756
4.830
4.581
6.418
9.204
9.183
7.823
9.180
8.359
9.953
N
N
N
NZ
NZ
NZ
CG
CG
NZ
NZ
NZ
O3'
C3'
OP2
OP2
C7
O4
C2'
OP2
N6
N6
N2
LYS F:35 F:31 140.0 0.7 H -41.7 -46.8 140.0 0.7 0.0 DA
DC
DA
DA
DA
DT
DT
DC
DT
DT
DT
DG
8.299
6.931
7.577
7.545
9.271
9.229
6.259
4.810
4.054
5.100
8.085
8.935
CE
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
N4
N6
N6
N6
O3'
C3'
OP2
C7
C7
O4
O6
3av1 2 P62805 100.0 4e-68 X-RAY
2011-06-01 LYS B:35 B:31 110.0 0.55 H -49.8 -57.8 110.0 0.55 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
HOH
9.092
6.295
4.692
6.281
7.105
8.271
9.628
6.197
5.285
7.093
7.464
4.280
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CE
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
O
LYS F:35 F:31 125.0 0.625 H -56.2 -51.0 125.0 0.625 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
HOH
9.580
6.448
5.720
6.958
7.495
9.099
6.063
4.384
7.121
6.471
7.803
9.652
2.833
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
C7
O4
N4
O
3av2 2 P62805 100.0 4e-68 X-RAY
2011-06-01 LYS B:35 B:31 107.0 0.535 H -51.1 -54.8 107.0 0.535 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
HOH
8.966
6.244
4.707
6.531
7.441
8.548
9.781
6.275
5.486
7.454
7.754
4.309
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
O
LYS F:35 F:31 116.0 0.58 H -53.1 -41.1 116.0 0.58 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
9.935
6.658
5.654
7.045
7.422
9.757
9.098
6.178
4.472
6.731
6.354
7.770
9.658
2.880
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
O
3ayw 2 P62805 100.0 4e-68 X-RAY
2011-09-21 LYS B:35 B:31 106.0 0.53 H -59.9 -52.9 106.0 0.53 0.0 DG
DC
DA
DT
DG
DT
DG
DA
DA
DC
9.001
6.037
4.588
6.378
7.196
8.320
6.304
5.251
7.266
7.260
N
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
C2'
OP2
N6
N4
LYS F:35 F:31 113.0 0.565 H -47.5 -45.8 113.0 0.565 0.0 DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
7.003
5.487
7.258
7.141
9.424
8.795
5.944
4.153
7.298
6.601
8.546
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
O4
O4
3aze 2 P62805 100.0 4e-68 X-RAY
2011-09-21 LYS B:35 B:31 117.0 0.585 H -45.0 -42.6 117.0 0.585 0.0 DG
DC
DA
DT
DG
DT
DG
DA
DA
DC
DA
8.775
5.786
4.215
5.409
7.152
8.113
6.452
6.199
7.240
7.658
9.204
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
C7
O6
O4
C2'
OP2
N6
N4
N6
LYS F:35 F:31 119.0 0.595 H -62.8 -43.8 119.0 0.595 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
9.893
6.815
6.088
7.347
7.927
9.053
5.689
4.088
7.705
6.809
7.865
9.984
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
C7
O4
N4
3azf 2 P62805 100.0 4e-68 X-RAY
2011-09-21 LYS B:35 B:31 110.0 0.55 H -48.1 -55.8 110.0 0.55 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
HOH
9.080
6.294
4.636
6.550
7.364
8.404
9.716
6.079
5.301
7.298
7.563
3.861
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CE
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
O
LYS F:35 F:31 120.0 0.6 H -56.0 -45.2 120.0 0.6 0.0 DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
6.810
5.757
6.667
7.091
9.548
9.030
6.149
4.309
6.487
6.106
7.642
9.680
2.874
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
O4
O4
N4
O
3azg 2 P62805 100.0 4e-68 X-RAY
2011-09-21 LYS B:35 B:31 114.0 0.57 H -46.9 -56.7 114.0 0.57 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
DA
HOH
9.092
6.326
4.692
6.216
7.159
8.299
9.538
5.954
5.253
7.134
7.445
9.971
4.229
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
N6
O
LYS F:35 F:31 124.0 0.62 H -57.0 -47.1 124.0 0.62 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
9.711
6.422
5.546
6.778
7.337
9.710
9.117
6.182
4.385
6.781
6.133
7.731
9.523
2.808
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
O
3azh 2 P62805 100.0 4e-68 X-RAY
2011-09-21 LYS B:35 B:31 109.0 0.545 H -51.2 -57.6 109.0 0.545 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
9.172
5.980
4.421
5.890
7.513
8.495
9.796
6.646
5.643
7.628
7.991
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
LYS F:35 F:31 113.0 0.565 H -65.5 -48.6 113.0 0.565 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
9.637
6.935
5.743
7.422
7.746
8.851
5.917
4.370
7.105
6.423
8.029
9.815
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
C7
O4
N4
3w96 2 P62805 100.0 4e-68 X-RAY
2013-08-28 LYS B:35 B:31 102.0 0.51 H -59.8 -38.4 102.0 0.51 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
9.205
5.850
4.279
6.487
7.915
9.028
9.780
6.300
5.738
8.210
8.589
N
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
LYS F:35 F:31 108.0 0.54 H -75.9 -36.6 108.0 0.54 0.0 DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
6.648
5.816
7.571
7.416
9.022
5.812
4.460
7.210
6.766
8.611
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
O4
O4
3w97 2 P62805 100.0 4e-68 X-RAY
2013-08-28 LYS B:35 B:31 98.0 0.49 H -55.5 -51.2 98.0 0.49 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
9.175
6.147
4.726
7.372
8.506
9.690
9.371
6.047
5.865
8.970
9.161
C
N
N
CE
NZ
NZ
NZ
NZ
NZ
NZ
CE
O3'
O3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
LYS F:35 F:31 109.0 0.545 H -72.7 -40.4 109.0 0.545 0.0 DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
7.047
6.074
7.598
7.736
9.132
5.998
4.327
6.956
6.881
8.528
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
O4
O4
3w98 2 P62805 100.0 4e-68 X-RAY
2013-08-28 LYS B:35 B:31 104.0 0.52 H -58.2 -39.1 104.0 0.52 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
9.233
6.018
4.551
6.847
8.196
8.837
9.223
6.148
5.666
8.098
8.505
N
N
N
CD
NZ
NZ
NZ
NZ
NZ
NZ
CE
O3'
O3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
LYS F:35 F:31 101.0 0.505 H -77.4 -40.8 101.0 0.505 0.0 DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
6.952
5.753
7.175
7.464
9.695
8.968
5.795
4.378
7.254
6.631
8.104
NZ
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
3wa9 2 P62805 100.0 4e-68 X-RAY
2013-12-18 LYS B:35 B:31 110.0 0.55 H -50.1 -55.3 110.0 0.55 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
DA
8.948
6.237
4.629
6.124
6.914
8.379
9.957
6.287
5.275
6.670
7.185
9.900
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
N6
LYS F:35 F:31 114.0 0.57 H -51.0 -47.5 114.0 0.57 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
9.688
6.388
5.526
6.907
7.510
8.975
6.051
4.271
7.072
6.746
7.920
9.794
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
C7
O4
N4
3waa 2 P62805 100.0 4e-68 X-RAY
2013-12-18 LYS B:35 B:31 112.0 0.56 H -51.6 -49.9 112.0 0.56 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
8.956
6.233
4.534
6.307
7.000
8.225
9.808
5.991
5.060
6.776
7.494
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
LYS F:35 F:31 114.0 0.57 H -53.0 -47.6 114.0 0.57 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
9.739
6.113
5.025
6.921
7.560
9.136
6.120
4.379
7.281
7.053
7.996
NZ
NZ
NZ
NZ
NZ
C
N
N
CE
NZ
NZ
C2'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
O4
O4
3wkj 2 P62805 100.0 4e-68 X-RAY
2014-04-09 LYS B:35 B:31 109.0 0.545 H -47.0 -60.5 109.0 0.545 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
HOH
8.986
6.272
4.640
6.455
7.244
8.331
9.727
6.353
5.438
7.224
7.558
6.378
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
N
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
O
LYS F:35 F:31 123.0 0.615 H -60.4 -43.5 123.0 0.615 0.0 DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
6.663
5.705
6.793
7.174
9.814
9.112
6.099
4.619
7.008
6.257
7.680
9.605
3.006
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
O4
O4
N4
O
3wtp 2 P62805 100.0 4e-68 X-RAY
2014-12-03 LYS B:35 B:31 109.0 0.545 H -57.7 -48.9 109.0 0.545 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
DA
8.949
6.115
4.545
5.833
6.975
7.906
9.870
6.092
4.914
6.977
7.521
9.708
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
N6
LYS F:35 F:31 118.0 0.59 H -58.0 -48.5 118.0 0.59 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
9.867
6.421
5.664
6.847
7.416
8.819
5.612
3.774
6.847
6.596
7.863
9.325
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
O4
O4
N4
4ym5 2 P62805 100.0 4e-68 X-RAY
2015-12-02 LYS B:35 B:31 114.0 0.57 H -57.0 -43.3 114.0 0.57 0.0 DG
DC
DA
DT
DG
DT
DG
DA
DA
DC
DA
8.775
5.814
4.100
5.739
7.335
8.574
6.537
5.879
7.246
7.983
9.793
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
C7
O6
O4
C2'
OP2
N6
N4
N6
LYS F:35 F:31 118.0 0.59 H -56.9 -43.3 118.0 0.59 0.0 DG
DA
DA
DC
DA
DG
DC
DA
DT
DG
DT
6.480
5.167
5.977
7.192
9.314
8.550
5.718
3.972
5.516
6.819
8.193
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
N6
N4
N6
O3'
O3'
OP2
C7
O6
O4
4ym6 2 P62805 100.0 4e-68 X-RAY
2015-12-02 LYS B:35 B:31 121.0 0.605 H -64.5 -42.9 121.0 0.605 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
DA
8.860
5.898
4.248
6.460
7.217
8.495
9.885
6.412
5.309
7.307
7.339
9.645
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
C7
O6
O4
O3'
C2'
OP2
N7
N4
N6
LYS F:35 F:31 121.0 0.605 H -70.5 -41.7 121.0 0.605 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
9.738
6.212
5.657
6.716
8.024
8.873
6.019
4.463
7.380
6.880
8.025
NZ
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
O3'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
O4
O4
4z5t 2 P62805 100.0 4e-68 X-RAY
2016-02-10 LYS B:35 B:31 124.0 0.62 H -59.1 -44.9 124.0 0.62 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
8.963
6.446
4.365
6.131
7.119
8.065
9.689
6.424
5.663
7.094
7.794
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
LYS F:35 F:31 120.0 0.6 H -58.0 -45.3 120.0 0.6 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
8.591
6.292
5.471
7.318
7.934
8.702
5.898
4.624
7.498
6.819
8.178
9.640
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
N6
N6
O3'
O3'
OP2
N7
C7
O4
N4
5ay8 2 P62805 100.0 4e-68 X-RAY
2016-04-06 LYS B:35 B:31 111.0 0.555 H -51.0 -55.0 111.0 0.555 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
DA
MN
8.784
6.097
4.376
6.291
6.988
8.230
9.638
6.174
5.492
6.949
7.468
9.375
6.557
C
N
N
CE
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CE
N
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
N6
MN
LYS F:35 F:31 106.0 0.53 H -52.9 -51.1 106.0 0.53 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
8.968
5.932
4.900
7.489
8.296
8.930
6.160
4.714
7.699
7.441
8.591
NZ
NZ
NZ
NZ
NZ
C
N
N
CE
NZ
NZ
O3'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
C7
O4
5b0y 2 P62805 100.0 4e-68 X-RAY
2016-01-27 LYS B:35 B:31 105.0 0.525 H -50.8 -48.9 105.0 0.525 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
8.877
6.441
4.780
6.435
7.551
8.814
9.640
6.109
5.233
7.546
7.877
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
LYS F:35 F:31 119.0 0.595 H -55.2 -47.7 119.0 0.595 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
9.664
6.375
5.574
6.986
7.589
9.730
8.938
6.009
4.087
7.039
6.608
7.985
9.732
7.906
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
CD
C2'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
O
5b0z 2 P62805 100.0 4e-68 X-RAY
2016-01-27 LYS B:35 B:31 110.0 0.55 H -52.2 -42.5 110.0 0.55 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
HOH
8.912
6.320
4.431
5.927
7.056
8.061
9.583
6.217
5.478
7.166
7.751
3.111
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
N
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
O
LYS F:35 F:31 105.0 0.525 H -53.6 -44.5 105.0 0.525 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
HOH
9.115
6.100
5.382
7.133
7.895
8.775
6.008
4.164
7.508
6.815
8.012
9.553
2.873
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
O3'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
O4
O4
N4
O
5b1l 2 P62806 100.0 4e-68 X-RAY
2017-02-15 LYS B:35 B:31 106.0 0.53 H -53.7 -44.7 106.0 0.53 0.0 DG
DC
DA
DT
DG
DT
DG
DA
DA
DC
DA
HOH
8.895
6.118
4.400
5.390
6.780
7.950
6.651
5.579
6.904
7.040
9.625
4.419
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CE
O3'
C3'
OP2
C7
O6
O4
C2'
OP2
N6
N4
N6
O
LYS F:35 F:31 113.0 0.565 H -53.7 -44.4 113.0 0.565 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
9.780
6.354
5.299
6.808
7.335
9.696
8.895
6.119
4.368
7.195
6.514
7.836
9.704
2.848
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
O3'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
O4
O4
N4
O
5b1m 2 P62806 100.0 4e-68 X-RAY
2017-02-15 LYS B:35 B:31 113.0 0.565 H -48.3 -47.1 113.0 0.565 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
DA
HOH
8.936
6.418
4.622
5.864
6.717
7.766
9.717
6.281
5.246
6.638
6.996
9.628
7.019
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
N
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
N6
O
LYS F:35 F:31 117.0 0.585 H -54.4 -49.5 117.0 0.585 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
HOH
9.656
6.605
5.634
6.910
7.575
8.752
6.156
4.391
6.990
6.346
7.613
9.215
2.800
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
C7
O4
N4
O
5b24 2 P62805 100.0 4e-68 X-RAY
2016-03-02 LYS B:35 B:31 111.0 0.555 H -58.9 -43.6 111.0 0.555 0.0 DG
DC
DA
DT
DG
DT
DG
DA
DA
DC
9.061
5.934
4.374
5.795
7.058
8.392
6.466
5.804
7.334
7.657
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP1
C7
O6
O4
C2'
OP2
N6
N4
LYS F:35 F:31 115.0 0.575 H -75.3 -44.4 115.0 0.575 0.0 DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
6.629
5.541
6.724
7.487
9.590
8.833
5.863
3.882
6.915
6.539
8.038
NZ
NZ
NZ
NZ
CE
C
N
N
CE
NZ
NZ
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
O4
O4
5b2i 2 P62805 100.0 4e-68 X-RAY
2016-06-15 LYS B:35 B:31 108.0 0.54 H -54.0 -41.6 108.0 0.54 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
9.205
6.270
4.374
5.959
6.930
8.356
9.204
6.751
6.013
7.130
8.202
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
LYS F:35 F:31 103.0 0.515 H -59.5 -41.8 103.0 0.515 0.0 DG
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
9.546
6.865
5.651
7.010
7.693
8.763
6.188
4.408
6.931
6.902
8.359
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
C7
O4
5b2j 2 P62805 100.0 4e-68 X-RAY
2016-06-15 LYS B:35 B:31 99.0 0.495 H -60.3 -46.6 99.0 0.495 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
DA
HOH
9.121
6.365
4.745
6.103
6.717
8.385
9.544
6.409
5.322
6.630
7.052
9.767
6.885
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
N6
O
LYS F:35 F:31 114.0 0.57 H -56.1 -44.2 114.0 0.57 0.0 DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
7.503
5.946
6.644
6.765
9.141
8.872
6.100
4.098
5.857
5.886
7.545
9.819
3.200
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
NZ
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
O
5b31 2 P62805 100.0 4e-68 X-RAY
2016-08-03 LYS B:35 B:31 112.0 0.56 H -52.2 -52.0 112.0 0.56 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
HOH
8.993
6.181
4.506
6.126
7.288
8.278
9.502
5.981
5.188
6.987
7.837
2.967
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
NZ
NZ
N
O3'
O3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
O
LYS F:35 F:31 116.0 0.58 H -51.2 -45.0 116.0 0.58 0.0 DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
6.670
5.682
6.619
7.113
9.371
9.058
6.322
4.263
6.555
5.994
7.650
9.700
2.589
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
O4
O4
N4
O
5b32 2 P62805 100.0 4e-68 X-RAY
2016-08-03 LYS B:35 B:31 109.0 0.545 H -58.6 -45.6 109.0 0.545 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
DA
HOH
8.849
6.030
4.363
5.826
7.157
8.250
9.843
6.530
5.505
7.045
7.165
9.613
7.875
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CD
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
N6
O
LYS F:35 F:31 120.0 0.6 H -59.6 -45.5 120.0 0.6 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
9.544
6.435
5.359
6.570
7.279
9.887
8.922
5.908
4.160
6.984
6.246
7.677
9.420
2.836
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
O3'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
O4
O4
N4
O
5b33 2 P62805 100.0 4e-68 X-RAY
2016-08-03 LYS B:35 B:31 107.0 0.535 H -61.2 -50.7 107.0 0.535 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
8.833
6.212
4.587
6.330
7.042
8.314
9.723
6.046
5.080
7.171
7.843
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
LYS F:35 F:31 117.0 0.585 H -49.5 -43.1 117.0 0.585 0.0 DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
6.597
5.382
6.782
7.030
9.761
9.016
6.085
4.206
6.819
6.581
7.890
9.978
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
O4
O4
N4
5cpi 2 P62805 100.0 4e-68 X-RAY
2015-10-28 LYS B:35 B:31 104.0 0.52 H -71.3 -43.8 104.0 0.52 0.0 DT
DC
DA
DA
DA
DT
DC
DC
DA
DT
DT
9.030
6.168
4.106
6.614
6.469
8.689
8.113
6.455
7.016
6.540
8.555
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N6
O4
C2'
OP2
N7
O4
O4
LYS F:35 F:31 109.0 0.545 H -73.8 -42.4 109.0 0.545 0.0 DG
DG
DC
DT
DC
DA
DA
DT
DT
DT
DG
DA
9.803
6.032
5.328
5.954
7.562
9.124
8.768
5.993
4.144
5.891
6.981
7.744
NZ
NZ
NZ
NZ
NZ
CE
C
N
N
CE
NZ
NZ
C2'
C2'
OP2
C7
N4
N6
O3'
O3'
OP2
C7
O6
N6
5cpj 2 P62805 100.0 4e-68 X-RAY
2015-10-28 LYS B:35 B:31 114.0 0.57 H -64.4 -44.5 114.0 0.57 0.0 DT
DC
DA
DA
DA
DT
DG
DC
DC
DA
DT
DT
8.673
6.070
4.241
6.806
5.891
8.674
9.986
7.345
5.458
6.872
6.591
8.808
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
N7
N6
O4
O6
C2'
OP2
N6
O4
O4
LYS F:35 F:31 116.0 0.58 H -65.2 -49.5 116.0 0.58 0.0 DG
DG
DC
DT
DC
DA
DA
DT
DT
DT
DG
DA
DG
9.309
5.781
4.945
5.651
7.413
9.065
8.616
5.955
4.376
4.952
6.144
7.726
9.223
NZ
NZ
NZ
NZ
CE
CE
C
N
N
CE
NZ
NZ
NZ
O3'
C2'
OP2
C7
N4
N6
O3'
O3'
OP1
C7
O6
N6
O6
5cpk 2 P62805 100.0 4e-68 X-RAY
2015-10-28 LYS B:35 B:31 104.0 0.52 H -66.3 -46.6 104.0 0.52 0.0 DT
5CM
DG
DA
DA
DC
DC
DC
DT
DG
DT
8.402
5.954
3.958
7.146
8.429
8.983
9.917
7.717
6.922
8.563
9.983
C
N
N
NZ
NZ
NZ
NZ
NZ
CD
NZ
CD
O3'
O3'
OP2
OP2
N7
N4
O3'
OP2
OP2
O6
O4
LYS F:35 F:31 103.0 0.515 H -68.4 -43.3 103.0 0.515 0.0 DC
DT
DT
5CM
DA
DT
DT
5CM
DG
DA
8.626
7.051
8.414
8.941
8.453
6.241
4.243
5.397
7.238
8.080
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
OP2
C7
C7
N4
O3'
C3'
OP2
C5A
O6
N6
5gse 2 P62805 100.0 4e-68 X-RAY
2017-05-03 LYS B:35 B:31 105.0 0.525 H -60.0 -40.6 105.0 0.525 0.0 DA
DA
DA
DC
DG
DC
DG
DC
DC
DC
DG
DC
DG
8.716
5.746
3.952
6.946
6.964
7.325
9.833
8.689
6.665
5.712
6.986
7.505
9.427
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C5
O6
N4
O6
O3'
OP2
OP2
O6
N4
O6
LYS F:35 F:31 107.0 0.535 H -60.9 -41.9 107.0 0.535 0.0 DA
DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
9.932
7.147
6.234
6.770
7.293
8.592
5.819
4.108
7.175
5.702
7.865
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
C2'
OP2
C7
O6
O3'
C3'
OP2
N7
N4
N6
LYS L:35 L:31 108.0 0.54 H -60.5 -47.7 108.0 0.54 0.0 DA
DC
DG
DT
DA
DA
DC
DG
DC
9.834
8.219
8.718
9.697
8.783
6.255
4.441
7.309
9.659
NZ
NZ
O
CB
C
N
N
NZ
CD
O3'
OP2
OP2
C7
O3'
C3'
OP2
OP2
N4
LYS P:35 P:31 103.0 0.515 H -62.3 -43.6 103.0 0.515 0.0 DA
DA
DA
DC
DG
DC
DG
DC
DC
DC
DG
DC
DG
8.791
5.607
4.084
6.630
6.762
7.335
9.537
9.134
6.846
5.673
6.717
7.268
9.794
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C5
O6
N4
O6
O3'
C2'
OP2
O6
N4
O6
5gtc 2 P62805 100.0 4e-68 X-RAY
2017-06-28 LYS B:35 B:31 113.0 0.565 H -62.9 -45.4 113.0 0.565 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
DA
8.801
5.961
4.224
6.339
6.859
8.190
9.999
6.151
5.020
7.112
7.546
9.704
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
N6
LYS F:35 F:31 117.0 0.585 H -66.4 -46.0 117.0 0.585 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
9.550
6.308
5.465
6.969
7.370
9.972
8.812
5.941
4.427
7.202
6.846
8.080
9.816
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
5gxq 2 P62805 100.0 4e-68 X-RAY
2017-04-19 LYS B:35 B:31 108.0 0.54 H -49.3 -58.3 108.0 0.54 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
9.093
6.422
4.819
6.019
7.259
8.404
9.943
6.317
5.356
6.706
7.449
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
LYS F:35 F:31 120.0 0.6 H -51.7 -48.5 120.0 0.6 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
9.538
6.243
5.461
7.085
7.767
8.996
6.202
4.301
7.218
6.784
7.870
9.751
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C2'
OP2
N6
N6
O3'
O3'
OP2
N7
O4
O4
N4
5jrg 2 P62805 100.0 4e-68 X-RAY
2017-03-08 LYS B:35 B:31 103.0 0.515 H -54.3 -50.7 103.0 0.515 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
DA
HOH
9.019
6.272
4.664
6.338
6.934
7.989
9.573
5.904
4.837
6.713
7.084
9.522
5.519
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
N6
O
LYS F:35 F:31 105.0 0.525 H -54.6 -49.6 105.0 0.525 0.0 DT
DG
DA
DA
DC
DA
DG
DC
DA
DT
DG
DT
DT
HOH
9.544
5.991
5.124
6.877
7.367
9.918
8.984
6.180
4.590
6.067
6.974
7.959
9.955
3.076
NZ
NZ
NZ
NZ
NZ
CE
C
N
N
CE
NZ
NZ
NZ
N
O3'
C2'
OP2
N6
N4
N6
O3'
C3'
OP2
C7
O6
O4
O4
O
5x7x 2 P62805 100.0 4e-68 X-RAY
2017-04-19 LYS B:35 B:31 111.0 0.555 H -53.7 -49.8 111.0 0.555 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
DA
HOH
8.912
6.226
4.601
6.009
7.526
8.267
9.824
6.509
5.806
7.270
7.831
9.895
6.357
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CE
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
N6
O
LYS F:35 F:31 120.0 0.6 H -54.0 -49.7 120.0 0.6 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
HOH
9.330
6.294
5.525
6.973
7.682
8.960
6.073
4.170
7.373
6.742
7.911
9.408
2.867
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
O3'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
O4
O4
N4
O
5xm0 2 P62806 100.0 4e-68 X-RAY
2018-03-07 LYS B:35 B:31 107.0 0.535 H -53.6 -50.3 107.0 0.535 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
9.015
6.182
4.537
6.396
7.223
8.384
9.917
6.324
5.449
7.033
7.794
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
LYS F:35 F:31 114.0 0.57 H -52.7 -46.0 114.0 0.57 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
9.955
6.675
5.677
7.052
7.549
9.884
9.075
6.223
4.620
6.959
6.557
7.781
9.877
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
O4
O4
N4
5xm1 2 P62806 100.0 4e-68 X-RAY
2018-03-07 LYS B:35 B:31 100.0 0.5 H -57.1 -37.2 100.0 0.5 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
8.924
6.078
4.539
6.256
7.426
8.711
9.784
6.304
5.504
7.863
7.921
C
N
N
CE
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
LYS F:35 F:31 118.0 0.59 H -58.5 -39.8 118.0 0.59 0.0 DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
6.613
5.485
6.601
7.078
9.613
8.885
5.837
3.921
6.877
6.701
7.900
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
N6
N6
N4
O3'
O3'
OP2
N7
C7
O4
5y0c 3 P62805 100.0 4e-68 X-RAY
2018-07-18 LYS D:35 B:31 111.0 0.555 H -55.1 -47.0 111.0 0.555 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
DA
HOH
8.943
6.295
4.606
5.700
7.196
8.167
9.927
6.685
5.806
7.074
7.705
9.771
8.291
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
N6
O
LYS H:35 F:31 105.0 0.525 H -56.2 -47.5 105.0 0.525 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
9.260
6.362
5.608
6.830
7.373
9.701
8.968
6.183
4.182
7.105
6.381
7.651
9.310
2.945
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
O3'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
O4
O4
N4
O
5y0d 2 P62805 100.0 4e-68 X-RAY
2018-07-18 LYS B:35 B:31 112.0 0.56 H -53.5 -47.0 112.0 0.56 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
HOH
8.976
6.383
4.565
6.097
7.304
8.120
9.743
6.351
5.561
7.268
7.723
2.787
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
N
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
O
LYS F:35 F:31 102.0 0.51 H -55.5 -49.7 102.0 0.51 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
9.539
6.299
5.416
6.819
7.209
9.942
8.891
6.169
4.183
7.060
6.354
7.687
9.399
2.718
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
O4
O4
N4
O
5z23 2 P62805 100.0 4e-68 X-RAY
2019-02-13 LYS B:35 B:31 115.0 0.575 H -44.1 -60.0 115.0 0.575 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
DA
8.763
6.094
4.401
5.889
7.128
8.199
9.931
6.596
5.921
7.069
7.835
9.591
C
N
N
CE
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CE
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
N6
LYS F:35 F:31 106.0 0.53 H -46.1 -58.5 106.0 0.53 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
8.960
6.568
5.590
7.495
8.132
8.876
6.097
4.472
7.737
7.090
8.255
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
C7
O4
5z30 2 P62805 100.0 4e-68 X-RAY
2018-07-18 LYS B:35 B:31 107.0 0.535 H -58.4 -46.5 107.0 0.535 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
HOH
8.857
6.238
4.494
6.197
6.773
8.163
9.924
6.371
5.321
7.155
7.417
6.633
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
N
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
O
LYS F:35 F:31 119.0 0.595 H -60.7 -45.0 119.0 0.595 0.0 DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
HOH
6.515
5.364
7.041
7.307
9.571
8.967
6.156
4.248
6.446
6.516
8.170
3.647
NZ
NZ
NZ
NZ
CE
C
N
N
CE
NZ
NZ
CB
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
O4
O4
O
5zbx 2 P62805 100.0 4e-68 X-RAY
2019-02-13 LYS B:35 B:31 102.0 0.51 H -62.1 -44.9 102.0 0.51 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
8.856
6.234
4.475
6.563
7.305
8.332
9.881
6.566
5.556
7.184
7.443
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
LYS F:35 F:31 104.0 0.52 H -60.7 -45.0 104.0 0.52 0.0 DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
7.079
6.161
7.152
7.778
9.711
8.874
5.927
4.425
6.707
6.216
7.789
9.633
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
6a5l 17 P62805 100.0 4e-68 EM
2018-10-03 LYS Q:35 b:31 120.0 0.6 H -55.3 -42.7 120.0 0.6 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
8.770
6.149
4.521
7.191
6.761
8.663
7.489
7.436
6.917
8.025
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
C2'
N7
C7
O6
LYS U:35 f:31 112.0 0.56 H -53.4 -49.1 112.0 0.56 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
7.794
7.086
6.752
6.704
7.676
8.752
6.400
4.136
5.430
6.391
7.965
9.969
NZ
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
NZ
C2'
C5
O6
N4
O6
O3'
O3'
OP2
N4
O6
N4
O6
6a5o 17 P62805 100.0 4e-68 EM
2018-10-03 LYS Q:35 b:31 121.0 0.605 H -60.7 -42.7 121.0 0.605 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
8.793
5.458
3.336
5.625
5.792
7.171
8.319
7.503
6.868
7.262
9.569
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
N7
N4
N6
C2'
N7
O4
O6
N4
LYS U:35 f:31 122.0 0.61 H -49.7 -51.3 122.0 0.61 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
9.437
6.990
6.260
6.935
8.271
9.148
5.888
3.783
7.047
7.165
7.540
9.146
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C2'
OP2
O6
N4
O3'
O3'
OP2
C5
O6
N4
O6
6a5p 17 P62805 100.0 4e-68 EM
2018-10-03 LYS Q:35 b:31 118.0 0.59 H -60.7 -42.7 118.0 0.59 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
9.206
5.910
4.453
5.785
6.221
8.707
8.453
7.219
7.391
7.741
9.649
C
N
CB
NZ
NZ
NZ
NZ
CD
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
C2'
OP2
C7
O6
N4
LYS U:35 f:31 122.0 0.61 H -49.8 -51.3 122.0 0.61 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
9.752
6.737
6.505
6.603
8.059
8.352
5.499
3.865
6.894
7.318
6.995
9.080
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C2'
C5
O6
N4
O3'
O3'
OP2
C5
O6
N4
O6
6a5r 17 P62805 100.0 4e-68 EM
2018-10-03 LYS Q:35 b:31 118.0 0.59 H -60.7 -42.7 118.0 0.59 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
9.206
5.910
4.453
5.785
6.221
8.707
8.452
7.219
7.390
7.742
9.649
C
N
CB
NZ
NZ
NZ
NZ
CD
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
C2'
OP2
C7
O6
N4
LYS U:35 f:31 122.0 0.61 H -49.9 -51.2 122.0 0.61 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
9.752
6.737
6.506
6.603
8.059
8.352
5.499
3.864
6.894
7.319
6.995
9.080
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C2'
C5
O6
N4
O3'
O3'
OP2
C5
O6
N4
O6
6a5t 17 P62805 100.0 4e-68 EM
2018-10-03 LYS Q:35 b:31 117.0 0.585 H -55.2 -42.8 117.0 0.585 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
8.769
6.150
4.521
7.192
6.759
8.663
7.490
7.436
6.916
8.025
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
C2'
N7
C7
O6
LYS U:35 f:31 114.0 0.57 H -53.3 -49.2 114.0 0.57 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
7.795
7.086
6.750
6.704
7.676
8.753
6.400
4.136
5.429
6.391
7.965
9.970
NZ
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
NZ
C2'
C5
O6
N4
O6
O3'
O3'
OP2
N4
O6
N4
O6
6a5u 17 P62805 100.0 4e-68 EM
2018-10-03 LYS Q:35 b:31 119.0 0.595 H -55.3 -42.7 119.0 0.595 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
8.769
6.149
4.521
7.191
6.761
8.664
7.490
7.437
6.916
8.026
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
C2'
N7
C7
O6
LYS U:35 f:31 112.0 0.56 H -53.4 -49.1 112.0 0.56 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
7.793
7.085
6.752
6.704
7.677
8.735
6.401
4.135
5.430
6.392
7.966
9.970
NZ
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
NZ
C2'
C5
O6
N4
O6
O3'
O3'
OP2
N4
O6
N4
O6
6hkt 2 P62805 100.0 4e-68 X-RAY
2018-10-31 LYS B:35 B:31 110.0 0.55 H -61.0 -47.9 110.0 0.55 0.0 DA
DA
DC
DG
DC
DA
DC
DA
DC
DG
DT
DG
9.659
6.566
4.468
8.055
6.829
7.094
9.144
8.943
6.272
5.701
6.655
8.003
N
N
N
CD
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
O3'
OP2
N7
N4
N6
N4
O3'
C2'
OP2
O4
O6
LYS F:35 F:31 103.0 0.515 H -61.1 -47.3 103.0 0.515 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
9.753
7.161
6.485
7.763
8.417
9.340
6.512
4.541
7.411
7.816
9.042
NZ
NZ
CE
CE
CE
C
N
N
CD
CE
NZ
O3'
C2'
OP2
O6
N4
O3'
O3'
OP2
C5
O6
N4
LYS L:35 b:31 102.0 0.51 H -60.6 -47.0 102.0 0.51 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
9.482
6.615
4.623
7.838
7.468
8.459
9.013
6.232
5.453
6.261
8.041
N
N
N
CD
CE
NZ
NZ
NZ
CE
CE
CE
O3'
O3'
OP2
N7
N4
N6
O3'
C2'
OP2
C7
O6
LYS P:35 f:31 111.0 0.555 H -62.5 -48.0 111.0 0.555 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
6.703
5.855
6.514
7.352
9.616
8.833
6.168
4.384
7.085
6.739
7.777
9.319
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
O6
LYS T:35 L:31 116.0 0.58 H -60.5 -49.0 116.0 0.58 0.0 DA
DA
DC
DG
DC
DA
DC
DC
DG
DT
DG
DC
8.470
5.685
3.927
6.813
6.018
7.155
9.787
6.632
5.706
5.770
7.013
9.644
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
NZ
O3'
O3'
OP2
N7
N4
N6
N4
C2'
OP2
C7
O6
N4
LYS X:35 P:31 102.0 0.51 H -60.9 -45.8 102.0 0.51 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
9.508
6.306
5.683
7.428
7.965
8.962
6.189
4.242
7.315
7.635
8.933
NZ
NZ
NZ
CE
CE
C
N
N
CD
CE
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
LYS BA:35 l:31 100.0 0.5 H -62.3 -46.8 100.0 0.5 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
9.755
6.337
4.450
7.303
7.498
8.399
9.100
6.891
6.723
7.570
8.628
C
N
N
CD
CE
CE
NZ
NZ
CE
CE
CE
O3'
O3'
OP2
OP2
N4
N6
O3'
OP2
OP2
C7
O6
LYS FA:35 p:31 112.0 0.56 H -60.0 -48.6 112.0 0.56 0.0 DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
7.584
6.913
7.643
8.651
9.028
5.943
4.062
6.802
7.237
7.806
9.564
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
OP2
O6
N4
O3'
O3'
OP2
C5
N7
N4
O6
LYS JA:35 V:31 110.0 0.55 H -60.8 -47.7 110.0 0.55 0.0 DA
DA
DC
DG
DC
DA
DC
DA
DC
DG
DT
DG
9.644
6.387
4.377
7.892
6.824
7.296
9.456
9.270
6.682
6.145
6.995
8.161
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
O3'
OP2
N7
N4
N6
N4
O3'
C2'
OP2
O4
O6
LYS NA:35 Z:31 105.0 0.525 H -60.9 -47.5 105.0 0.525 0.0 DC
DC
DC
DG
DC
DA
DA
DC
DG
DC
8.842
6.568
6.604
8.387
9.476
7.428
5.399
8.399
8.861
9.461
NZ
NZ
CE
CE
CE
N
N
CD
CE
CE
O3'
OP2
OP2
O6
N4
O3'
OP2
OP2
O6
N4
LYS RA:35 v:31 101.0 0.505 H -57.9 -47.3 101.0 0.505 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
9.403
6.366
4.453
7.587
7.399
8.619
9.277
6.731
6.025
6.773
8.319
C
N
N
CD
CE
NZ
NZ
NZ
CE
CE
CE
O3'
O3'
OP2
N7
N4
N6
O3'
C2'
OP2
C7
O6
LYS VA:35 z:31 110.0 0.55 H -63.0 -47.4 110.0 0.55 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
9.253
6.341
5.915
7.034
8.401
9.562
6.483
4.335
7.699
7.361
7.657
8.924
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C2'
OP2
O6
N4
O3'
O3'
OP2
C5
O6
N4
O6
6inq 17 P62805 100.0 4e-68 EM
2019-04-03 LYS Q:35 b:31 118.0 0.59 H -55.3 -42.8 118.0 0.59 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
8.770
6.150
4.521
7.190
6.761
8.663
7.491
7.436
6.918
8.026
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
C2'
N7
C7
O6
LYS U:35 f:31 112.0 0.56 H -53.4 -49.0 112.0 0.56 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
7.794
7.085
6.752
6.703
7.675
8.753
6.400
4.135
5.430
6.389
7.964
9.968
NZ
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
NZ
C2'
C5
O6
N4
O6
O3'
O3'
OP2
N4
O6
N4
O6
6ir9 20 P62805 100.0 4e-68 EM
2019-02-20 LYS T:35 b:31 120.0 0.6 H -55.3 -42.8 120.0 0.6 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
8.769
6.149
4.520
7.190
6.761
8.663
7.490
7.437
6.918
8.026
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
C2'
N7
C7
O6
LYS X:35 f:31 110.0 0.55 H -53.3 -49.2 110.0 0.55 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
7.794
7.086
6.752
6.704
7.676
8.752
6.400
4.136
5.430
6.390
7.965
9.970
NZ
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
NZ
C2'
C5
O6
N4
O6
O3'
O3'
OP2
N4
O6
N4
O6
6j4w 20 P62805 100.0 4e-68 EM
2019-02-20 LYS T:35 b:31 118.0 0.59 H -60.7 -42.7 118.0 0.59 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
9.207
5.910
4.453
5.784
6.222
8.708
8.453
7.219
7.392
7.741
9.650
C
N
CB
NZ
NZ
NZ
NZ
CD
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
C2'
OP2
C7
O6
N4
LYS X:35 f:31 122.0 0.61 H -49.8 -51.2 122.0 0.61 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
9.754
6.739
6.506
6.603
8.059
8.352
5.500
3.866
6.893
7.318
6.996
9.080
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C2'
C5
O6
N4
O3'
O3'
OP2
C5
O6
N4
O6
6j4x 20 P62805 100.0 4e-68 EM
2019-02-20 LYS T:35 b:31 120.0 0.6 H -55.2 -42.9 120.0 0.6 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
8.768
6.148
4.520
7.190
6.759
8.663
7.488
7.434
6.917
8.023
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
C2'
N7
C7
O6
LYS X:35 f:31 112.0 0.56 H -53.4 -49.1 112.0 0.56 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
7.794
7.085
6.751
6.705
7.676
8.752
6.398
4.136
5.431
6.390
7.965
9.972
NZ
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
NZ
C2'
C5
O6
N4
O6
O3'
O3'
OP2
N4
O6
N4
O6
6j4y 20 P62805 100.0 4e-68 EM
2019-02-20 LYS T:35 b:31 121.0 0.605 H -55.3 -42.7 121.0 0.605 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
8.769
6.148
4.521
7.191
6.761
8.663
7.490
7.437
6.918
8.027
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
C2'
N7
C7
O6
LYS X:35 f:31 111.0 0.555 H -53.3 -49.2 111.0 0.555 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
7.794
7.086
6.752
6.704
7.677
8.751
6.397
4.135
5.431
6.390
7.965
9.971
NZ
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
NZ
C2'
C5
O6
N4
O6
O3'
O3'
OP2
N4
O6
N4
O6
6j4z 19 P62805 100.0 4e-68 EM
2019-02-20 LYS S:35 b:31 120.0 0.6 H -55.4 -42.6 120.0 0.6 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
8.769
6.150
4.520
7.190
6.761
8.664
7.490
7.437
6.916
8.025
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
C2'
N7
C7
O6
LYS W:35 f:31 112.0 0.56 H -53.4 -49.0 112.0 0.56 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
7.793
7.085
6.752
6.705
7.679
8.753
6.401
4.135
5.431
6.392
7.966
9.970
NZ
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
NZ
C2'
C5
O6
N4
O6
O3'
O3'
OP2
N4
O6
N4
O6
6j50 19 P62805 100.0 4e-68 EM
2019-02-20 LYS S:35 b:31 120.0 0.6 H -55.4 -42.6 120.0 0.6 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
8.770
6.150
4.520
7.190
6.761
8.664
7.490
7.436
6.916
8.025
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
C2'
N7
C7
O6
LYS W:35 f:31 112.0 0.56 H -53.4 -49.0 112.0 0.56 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
7.794
7.086
6.752
6.704
7.677
8.751
6.401
4.135
5.430
6.392
7.966
9.969
NZ
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
NZ
C2'
C5
O6
N4
O6
O3'
O3'
OP2
N4
O6
N4
O6
6j51 20 P62805 100.0 4e-68 EM
2019-02-20 LYS T:35 b:31 119.0 0.595 H -55.3 -42.6 119.0 0.595 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
8.769
6.150
4.521
7.191
6.761
8.663
7.489
7.436
6.916
8.026
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
C2'
N7
C7
O6
LYS X:35 f:31 112.0 0.56 H -53.4 -49.1 112.0 0.56 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
7.794
7.085
6.753
6.703
7.677
8.751
6.401
4.135
5.430
6.392
7.966
9.970
NZ
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
NZ
C2'
C5
O6
N4
O6
O3'
O3'
OP2
N4
O6
N4
O6
6jou 2 P62805 100.0 4e-68 X-RAY
2020-03-25 LYS B:35 B:31 97.0 0.485 H -53.0 -41.8 97.0 0.485 0.0 DG
DC
DA
DT
DG
DT
DG
DA
DA
DC
DA
HOH
8.927
6.252
4.492
6.151
7.812
9.207
6.753
4.919
7.371
7.367
9.782
4.277
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
C7
O6
O4
C2'
OP2
N7
N4
N6
O
LYS F:35 F:31 121.0 0.605 H -52.9 -48.3 121.0 0.605 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
9.706
6.483
5.625
6.891
7.273
9.460
8.943
6.221
4.249
6.557
6.019
7.839
9.695
3.558
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
NZ
C2'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
O
6jr0 2 P62805 100.0 4e-68 X-RAY
2019-10-02 LYS B:35 B:31 108.0 0.54 H -48.0 -46.6 108.0 0.54 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
HOH
8.792
6.275
4.662
6.354
7.305
8.135
9.726
6.404
5.584
7.009
7.556
2.794
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
N
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
O
LYS F:35 F:31 104.0 0.52 H -48.3 -46.4 104.0 0.52 0.0 DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
7.206
6.571
7.236
7.446
9.614
8.918
6.266
4.246
6.601
6.224
8.000
9.793
2.925
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
O
6jr1 2 P62805 100.0 4e-68 X-RAY
2019-10-02 LYS B:35 B:31 105.0 0.525 H -51.6 -43.2 105.0 0.525 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
HOH
8.841
6.391
4.634
6.362
7.429
8.335
9.608
6.512
5.672
7.245
7.768
2.917
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
N
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
O
LYS F:35 F:31 107.0 0.535 H -51.1 -43.6 107.0 0.535 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
9.761
6.601
5.823
7.076
7.572
9.752
8.908
6.210
4.247
6.906
6.408
7.967
9.820
2.973
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
O
6k1i 2 P62805 100.0 4e-68 X-RAY
2020-01-15 LYS B:35 B:31 109.0 0.545 H -51.3 -55.1 109.0 0.545 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
DC
9.078
6.233
4.296
7.126
6.840
7.747
9.598
5.837
6.265
6.255
7.565
9.707
C
N
N
CD
CE
NZ
NZ
NZ
NZ
CE
CE
CE
O3'
C3'
OP2
N7
N4
N6
C2'
O3'
N7
C7
O6
N4
LYS F:35 F:31 111.0 0.555 H -55.0 -56.6 111.0 0.555 0.0 DA
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
9.545
6.615
5.614
6.802
7.675
8.878
6.295
4.219
6.920
6.994
7.834
9.356
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
O6
6k1j 2 P62805 100.0 4e-68 X-RAY
2020-01-15 LYS B:35 B:31 109.0 0.545 H -49.0 -48.0 109.0 0.545 0.0 DG
DC
DA
DT
DG
DT
DT
DT
DG
DA
DA
DC
DA
HOH
9.350
6.685
4.831
5.945
7.037
7.921
9.887
8.954
5.665
5.177
6.620
7.092
9.682
7.145
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CE
CB
O3'
C3'
OP2
C7
O6
O4
O4
O3'
C2'
OP2
N6
N4
N6
O
LYS F:35 F:31 109.0 0.545 H -50.7 -47.3 109.0 0.545 0.0 DT
DG
DA
DA
DC
DG
DC
DA
DT
DG
DT
DT
9.521
6.077
5.225
6.761
7.347
9.034
6.398
4.424
6.248
7.287
8.059
9.888
NZ
NZ
NZ
NZ
NZ
C
N
N
CD
NZ
NZ
NZ
C2'
C2'
OP2
N6
N4
O3'
C3'
OP2
C7
O6
O4
O4
6k1k 2 P62805 100.0 4e-68 X-RAY
2020-01-15 LYS B:35 B:31 117.0 0.585 H -50.8 -49.6 117.0 0.585 0.0 DA
DA
DC
DG
DC
DA
DC
DA
DC
DG
DT
DG
HOH
8.999
6.374
4.373
6.706
5.967
8.089
9.810
9.990
7.018
5.656
6.083
7.145
5.906
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
N
O3'
C3'
OP2
N7
N4
N6
N4
C2'
C2'
OP2
C7
O6
O
LYS F:35 F:31 111.0 0.555 H -38.5 -63.1 111.0 0.555 0.0 DA
DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
DC
HOH
9.844
6.775
5.853
6.046
7.175
8.925
6.296
4.474
6.761
5.980
7.657
9.763
6.938
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C
C2'
C2'
OP2
C7
O6
O3'
C3'
OP2
N7
N4
N6
N4
O
6kvd 3 P62805 100.0 4e-68 X-RAY
2019-12-18 LYS D:35 B:31 108.0 0.54 H -54.2 -42.9 108.0 0.54 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
HOH
9.033
6.299
4.403
6.268
7.261
8.239
9.488
6.161
5.257
7.214
7.637
3.548
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CB
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
O
LYS H:35 F:31 107.0 0.535 H -52.1 -43.0 107.0 0.535 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
9.756
6.559
5.764
7.081
7.466
9.406
8.881
6.205
4.197
6.468
6.152
7.854
9.673
2.979
NZ
NZ
NZ
NZ
NZ
CE
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
O
6kxv 2 P62805 100.0 4e-68 X-RAY
2020-07-22 LYS B:35 B:31 117.0 0.585 H -61.1 -48.4 117.0 0.585 0.0 DG
DC
DA
DT
DG
DT
DG
DA
DA
DC
DA
8.481
5.967
3.985
4.759
6.093
7.633
7.294
5.864
6.417
6.613
8.112
C
N
N
NZ
NZ
NZ
NZ
CE
NZ
NZ
NZ
O3'
O3'
OP2
C7
O6
O4
C2'
OP2
N6
N4
N6
LYS F:35 F:31 117.0 0.585 H -61.4 -48.7 117.0 0.585 0.0 DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
7.037
5.982
6.770
7.002
9.276
8.765
5.657
4.090
6.542
6.058
7.548
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
O4
O4
6l49 2 P62805 100.0 4e-68 EM
2019-12-04 LYS B:35 B:31 115.0 0.575 H -73.9 -43.9 115.0 0.575 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
DG
8.548
4.748
3.555
3.981
6.067
7.682
7.870
6.174
4.986
6.961
6.979
8.617
N
N
N
NZ
NZ
NZ
CD
CD
NZ
NZ
NZ
NZ
O3'
C3'
OP1
N7
N4
N6
C2'
OP2
C7
O6
N4
O6
LYS F:35 F:31 122.0 0.61 H -60.5 -38.6 122.0 0.61 0.0 DC
DC
DG
DA
DA
DA
DC
DG
DC
7.614
7.744
9.384
9.022
6.084
4.123
6.194
8.777
9.353
NZ
CE
NZ
C
N
N
NZ
NZ
NZ
C5'
OP2
O6
O3'
C3'
OP2
OP2
N7
N4
LYS L:35 L:31 106.0 0.53 H -65.6 -41.9 106.0 0.53 0.0 DA
DA
DC
DG
DC
DA
DC
DA
DC
DG
DT
DG
DC
8.360
5.346
3.978
4.800
4.489
7.078
9.256
8.864
6.383
6.440
5.955
7.131
8.953
N
N
N
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
NZ
O3'
C3'
OP1
N7
N4
N6
N4
O3'
C2'
OP2
C7
O6
N4
LYS P:35 P:31 111.0 0.555 H -63.6 -42.7 111.0 0.555 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
9.756
6.281
5.714
8.434
7.921
8.946
5.634
3.627
6.827
7.485
9.029
NZ
NZ
NZ
CE
CE
C
N
N
CD
CE
CE
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
OP2
O6
N4
LYS T:35 T:31 104.0 0.52 H -67.2 -41.5 104.0 0.52 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
8.467
5.127
4.088
5.734
7.503
8.535
7.216
6.622
4.989
8.851
9.528
C
N
CB
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
C2'
OP2
O4
O6
N4
LYS X:35 X:31 108.0 0.54 H -65.9 -42.1 108.0 0.54 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
8.323
4.934
4.926
7.825
7.684
9.934
8.208
5.502
3.746
7.462
7.592
8.591
NZ
NZ
NZ
CE
CE
CE
C
N
N
CD
CE
CE
O3'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
OP2
O6
N4
6l4a 2 P62805 100.0 4e-68 EM
2019-12-04 LYS B:35 B:31 106.0 0.53 H -58.3 -39.9 106.0 0.53 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.693
5.634
4.310
6.803
6.868
7.854
9.519
6.328
5.644
6.140
7.857
C
N
CB
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
O3'
C2'
OP2
C7
O6
LYS F:35 F:31 110.0 0.55 H -59.2 -40.4 110.0 0.55 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
9.222
6.191
5.762
8.558
8.677
8.734
6.395
4.621
7.455
8.273
9.390
NZ
NZ
CE
CE
CE
C
N
N
CD
CE
CE
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
LYS L:35 L:31 104.0 0.52 H -57.3 -39.8 104.0 0.52 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
DC
8.758
5.623
4.463
6.311
6.365
7.554
9.309
6.322
5.752
5.997
7.589
9.804
C
N
CB
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
O3'
C2'
OP2
C7
O6
N4
LYS P:35 P:31 110.0 0.55 H -59.8 -40.4 110.0 0.55 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
9.132
6.029
5.718
8.299
8.192
8.744
6.262
4.339
7.289
7.821
9.129
NZ
NZ
CE
CE
CE
C
N
N
CD
CE
CE
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
LYS T:35 T:31 105.0 0.525 H -59.6 -40.1 105.0 0.525 0.0 DA
DA
DC
DG
DC
DA
DC
DA
DC
DG
DT
DG
DC
8.802
5.695
4.383
6.541
6.727
7.635
9.843
9.140
6.527
5.721
6.001
7.626
9.795
C
N
CB
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
N4
O3'
C2'
OP2
C7
O6
N4
LYS X:35 X:31 108.0 0.54 H -59.7 -40.7 108.0 0.54 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
9.439
6.409
5.846
8.371
8.093
8.765
6.181
4.358
7.208
7.770
9.153
NZ
NZ
CE
CE
CE
C
N
N
CD
CE
CE
C2'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
6r8y 2 P62805 100.0 4e-68 EM
2019-06-12 LYS B:35 B:32 104.0 0.52 H -48.7 -58.2 104.0 0.52 0.0 DG
DC
DA
DT
DG
DT
DG
DA
DA
DC
DA
DT
DG
8.953
4.858
3.620
3.168
6.757
9.029
7.155
5.886
7.846
6.674
7.371
9.858
9.436
N
HZ1
HB3
HZ1
HZ3
HZ3
HD2
HD2
HZ3
HZ3
HZ1
HZ1
HZ1
O3'
H2''
OP2
H72
O6
O4
H2''
OP2
H61
H41
H61
H3
H22
6r8z 2 P62805 100.0 4e-68 EM
2019-06-12 LYS B:35 B:32 102.0 0.51 H -50.5 -53.4 102.0 0.51 0.0 DG
DC
DA
DT
DG
DT
DG
DA
DA
DC
DA
DT
DG
9.000
4.619
4.132
4.148
7.206
8.862
7.295
5.895
7.915
7.254
8.304
9.845
9.561
N
HZ1
H
HZ1
HZ3
HZ3
HD2
HD2
HZ3
HZ3
HZ3
HZ3
HZ1
O3'
H2''
OP2
H71
O6
O4
H2''
OP2
H61
H42
H61
O4
H22
LYS F:35 F:32 91.0 0.455 H -57.4 -55.1 91.0 0.455 0.0 DG
DA
DA
DC
DA
DG
DC
DA
DT
DG
DT
7.110
5.875
7.509
6.309
7.883
8.927
5.197
4.257
3.922
6.512
8.837
HD2
HD2
HZ3
HZ1
HZ1
N
H
H
HZ1
HZ1
HZ1
H2''
OP2
H62
H41
H61
O3'
H3'
OP2
H72
O6
O4
6r90 2 P62805 100.0 4e-68 EM
2019-06-12 LYS B:35 B:32 96.0 0.48 H -56.7 -55.5 96.0 0.48 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
DA
9.603
4.976
3.840
5.595
7.346
7.772
7.947
4.717
3.597
6.407
7.639
9.467
C
H
H
HZ3
HZ3
HZ3
HZ1
HZ1
HZ1
HZ1
HZ3
HZ3
O3'
H3'
OP2
H72
O6
O4
H2''
H2''
OP2
H62
H41
H61
LYS F:35 F:32 97.0 0.485 H -57.5 -54.2 97.0 0.485 0.0 DT
DG
DA
DA
DC
DA
DG
DC
DA
DT
DG
DT
DT
8.090
4.132
4.967
6.355
6.946
9.313
8.572
5.707
4.880
6.007
7.399
8.014
8.919
HZ1
HZ1
HZ1
HZ1
HE2
HZ3
N
H
H
HZ3
HZ3
HZ3
HZ1
H3'
H2'
OP2
H62
H41
H61
O3'
H3'
OP2
H72
O6
O4
O4
6r91 2 P62805 100.0 4e-68 EM
2019-06-12 LYS B:35 B:32 110.0 0.55 H -53.0 -51.8 110.0 0.55 0.0 DA
DA
DG
DG
DC
DA
DC
DA
DT
DG
DC
DC
8.757
4.948
3.961
4.896
5.362
8.295
7.503
5.871
5.782
6.798
7.330
9.171
HZ2
HZ2
H
HZ1
HZ1
HZ1
HD2
HD2
HZ3
HZ1
HZ1
HZ1
H2''
H2''
OP2
N7
H41
H61
H3'
OP2
H72
O6
H42
H42
LYS F:35 F:32 95.0 0.475 H -53.4 -51.8 95.0 0.475 0.0 DG
DC
DT
DG
DA
DA
DT
DG
DT
DT
DC
DA
DG
6.101
4.888
3.471
7.017
7.376
9.639
9.677
5.660
4.522
4.315
5.699
7.028
9.702
HZ3
HZ3
HZ1
HZ1
HZ1
HZ1
H
H
HB3
HE2
HZ1
HZ1
HZ1
H2''
OP2
H72
O6
H61
H61
O3'
H3'
OP2
H72
H41
H61
O6
6r92 5 P62805 100.0 4e-68 EM
2019-06-12 LYS E:35 B:32 93.0 0.465 H -53.4 -51.4 93.0 0.465 0.0 DC
DA
DT
DG
DT
DT
DT
DG
DA
DA
DC
DA
DT
9.025
5.157
3.769
5.792
6.586
8.455
6.939
5.509
7.141
6.871
8.159
9.539
9.948
C
H
H
HZ1
HZ1
HZ1
HZ3
HZ3
HZ1
HZ1
HZ1
HZ1
H
O3'
H3'
OP2
N7
H71
O4
H2''
OP2
H62
H62
H42
H61
OP1
LYS I:35 F:32 94.0 0.47 H -53.3 -51.4 94.0 0.47 0.0 DG
DA
DA
DC
DA
DT
DT
DG
DG
DC
DA
DT
DG
9.819
6.190
5.314
5.338
6.642
8.466
9.989
9.247
5.650
5.194
6.187
6.536
7.645
HZ3
HZ3
HZ3
HZ1
HZ1
HZ1
H
C
H
HB3
HE2
HZ1
HZ1
H2''
H3'
OP2
H41
H62
O4
H5''
O3'
H3'
OP2
OP2
H73
O6
6r93 4 P62805 100.0 4e-68 EM
2019-06-12 LYS D:35 B:32 102.0 0.51 H -53.1 -51.5 102.0 0.51 0.0 DG
DC
DA
DT
DG
DT
DG
DA
DA
DC
DA
DG
DT
8.810
4.916
4.115
3.316
6.345
8.475
7.227
5.819
6.916
6.233
7.002
9.347
9.934
C
H
HE3
HZ1
HZ1
HZ3
HD2
HD2
HZ3
HZ3
HZ1
HZ1
H
O3'
H3'
OP2
H71
O6
O4
H2''
OP2
H62
H41
H61
H22
OP1
LYS H:35 F:32 99.0 0.495 H -52.6 -51.1 99.0 0.495 0.0 DT
DG
DA
DA
DC
DA
DG
DC
DA
DT
DG
DT
9.515
5.991
4.991
6.243
6.175
7.605
8.873
5.426
4.099
4.547
6.613
7.964
HZ3
HZ3
HZ3
HZ1
HZ1
HZ1
C
H
H
HE2
HZ1
HZ1
O3'
H2''
OP2
H62
H41
H61
O3'
H3'
OP2
H72
O6
O4
6r94 4 P62805 100.0 4e-68 EM
2019-06-12 LYS D:35 B:32 99.0 0.495 H -52.7 -51.5 99.0 0.495 0.0 DG
DC
DA
DT
DG
DT
DG
DA
DA
DC
DA
8.839
5.193
3.621
4.332
6.333
8.311
6.608
5.599
6.553
5.755
7.484
C
HB3
HB3
HZ1
HZ1
HZ1
HZ3
HZ3
HZ3
HZ1
HZ1
O3'
H3'
OP2
H72
O6
O4
H2''
OP2
H62
H41
H61
LYS H:35 F:32 99.0 0.495 H -53.2 -51.6 99.0 0.495 0.0 DG
DA
DA
DC
DA
DG
DC
DA
DT
DG
DT
6.228
5.279
6.200
5.629
7.880
9.115
5.552
4.133
4.592
6.637
8.565
HZ3
HZ3
HZ1
HZ1
HZ1
C
H
H
HZ1
HZ1
HZ1
H2''
OP2
H62
H41
H61
O3'
H3'
OP2
H71
O6
O4
6t90 2 P62805 100.0 4e-68 EM
2020-05-06 LYS B:35 B:32 114.0 0.57 H -55.0 -47.0 114.0 0.57 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
8.783
6.068
4.376
7.063
7.530
9.234
8.403
6.752
7.302
8.804
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
OP2
OP2
C7
O6
LYS F:35 F:32 119.0 0.595 H -54.5 -46.6 119.0 0.595 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
9.657
7.802
7.080
8.430
9.292
8.781
5.981
4.356
7.236
8.298
8.899
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
6t93 2 P62805 100.0 4e-68 EM
2020-05-06 LYS B:35 B:32 112.0 0.56 H -50.2 -50.5 112.0 0.56 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
8.883
6.142
4.513
7.444
7.791
9.174
8.417
7.093
8.314
9.001
C
N
N
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
OP2
OP2
C7
O6
LYS F:35 F:32 101.0 0.505 H -60.1 -51.1 101.0 0.505 0.0 DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
8.098
6.982
9.295
9.945
8.770
5.805
4.622
7.702
9.073
9.824
NZ
CD
NZ
CD
C
N
N
NZ
NZ
NZ
OP2
OP2
O6
N4
O3'
C3'
OP2
OP2
O6
N4
6usj 4 P62805 100.0 4e-68 EM
2020-10-14 LYS D:35 B:31 117.0 0.585 H -56.0 -51.3 117.0 0.585 0.0 DA
DA
DA
DC
DG
DC
DG
DC
DC
DC
DG
DC
8.288
5.246
3.026
7.107
7.813
8.579
9.467
9.710
7.057
6.665
8.218
8.068
N
N
N
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
O3'
OP2
OP2
O6
N4
O6
C2'
C2'
OP2
O6
N4
LYS H:35 F:31 113.0 0.565 H -56.3 -49.6 113.0 0.565 0.0 DA
DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
DC
8.069
5.947
6.357
7.546
9.203
8.276
5.220
2.986
7.201
7.906
8.587
9.408
NZ
NZ
CE
NZ
NZ
N
N
N
CD
NZ
NZ
NZ
O3'
C2'
OP2
O4
O6
O3'
O3'
OP2
OP2
N4
N6
N4
LYS N:35 L:31 113.0 0.565 H -56.0 -51.3 113.0 0.565 0.0 DA
DA
DA
DC
DG
DC
DG
DC
DC
DC
DG
DC
8.289
5.250
3.032
7.126
7.806
8.572
9.461
9.702
7.035
6.663
8.231
8.074
N
N
N
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
O3'
OP2
C5
O6
N4
O6
C2'
C2'
OP2
O6
N4
LYS R:35 P:31 113.0 0.565 H -56.4 -49.5 113.0 0.565 0.0 DA
DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
DC
8.069
5.954
6.369
7.532
9.240
8.277
5.217
2.980
7.163
7.929
8.594
9.424
NZ
NZ
CE
NZ
NZ
N
N
N
CD
NZ
NZ
NZ
O3'
C2'
OP2
O4
O6
O3'
O3'
OP2
OP2
N4
N6
N4
6v2k 2 P62805 100.0 4e-68 X-RAY
2020-11-25 LYS B:35 B:31 110.0 0.55 H -52.9 -45.3 110.0 0.55 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
8.774
6.173
4.341
5.964
7.159
8.324
9.754
6.446
5.488
7.293
7.705
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
LYS F:35 F:31 101.0 0.505 H -51.4 -48.2 101.0 0.505 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
9.275
6.420
5.454
7.180
7.871
8.770
5.981
4.069
7.378
6.646
7.886
9.385
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
O4
O4
N4
6yov 6 P62805 100.0 4e-68 EM
2020-05-06 LYS F:35 F:32 117.0 0.585 H -56.7 -50.4 117.0 0.585 0.0 DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
7.718
7.036
8.586
9.378
8.528
5.826
4.298
7.375
8.561
8.946
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
7bxt 2 P62805 100.0 4e-68 EM
2021-02-10 LYS B:35 B:31 114.0 0.57 H -68.7 -48.0 114.0 0.57 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
8.386
5.511
4.227
5.469
6.432
8.612
8.783
7.489
8.063
8.248
9.658
C
N
N
NZ
NZ
NZ
CD
CD
NZ
NZ
NZ
O3'
C3'
OP1
OP2
N4
N6
C5'
OP2
C7
O6
N4
LYS F:35 F:31 125.0 0.625 T -48.9 -27.7 125.0 0.625 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
7.353
6.298
7.055
7.919
9.355
9.338
5.503
4.279
6.119
7.183
7.692
9.589
NZ
NZ
NZ
NZ
NZ
N
N
CB
CD
NZ
NZ
NZ
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
OP2
O6
N4
O6
7c0m 2 P62805 100.0 4e-68 EM
2020-09-16 LYS B:35 B:31 107.0 0.535 H -69.9 -49.6 107.0 0.535 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
DC
8.557
5.586
4.299
6.974
6.424
7.581
9.293
7.046
5.737
6.106
7.575
9.847
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
O3'
C2'
OP2
C7
O6
N4
LYS F:35 F:31 92.0 0.46 H -57.9 -46.3 92.0 0.46 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
9.675
6.976
6.041
6.924
7.183
8.780
8.698
5.842
4.119
6.599
7.291
8.094
CE
CE
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
N4
O6
N4
LYS M:35 b:31 107.0 0.535 H -70.0 -49.7 107.0 0.535 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
DC
8.557
5.586
4.300
6.974
6.424
7.580
9.293
7.045
5.737
6.105
7.575
9.846
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
O3'
C2'
OP2
C7
O6
N4
LYS Q:35 f:31 92.0 0.46 H -58.0 -46.2 92.0 0.46 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
9.675
6.976
6.042
6.924
7.183
8.780
8.698
5.841
4.119
6.600
7.292
8.093
CE
CE
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
N4
O6
N4
7d1z 2 P62805 100.0 4e-68 EM
2021-02-10 LYS B:35 B:31 106.0 0.53 H -56.9 -46.4 106.0 0.53 0.0 DA
DA
DC
DG
DC
DA
DC
DA
DC
DG
DT
DG
DC
8.642
5.778
4.076
7.225
6.658
7.542
9.955
9.241
6.431
5.286
5.825
7.360
9.604
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
N4
O3'
C2'
OP2
C7
O6
N4
LYS K:35 F:31 113.0 0.565 H -61.0 -47.0 113.0 0.565 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
9.082
6.535
6.140
7.187
8.038
9.757
8.727
5.827
4.145
6.815
7.403
7.773
9.465
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
O6
7d20 2 P62805 100.0 4e-68 EM
2021-02-10 LYS C:35 B:31 103.0 0.515 H -67.1 -47.1 103.0 0.515 0.0 DA
DA
DC
DG
DC
DA
DC
DA
DC
DG
DT
DG
DC
8.685
5.722
4.503
6.374
6.045
7.283
9.907
9.698
7.222
6.155
6.010
7.221
9.184
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
N4
O3'
C2'
OP2
C7
O6
N4
LYS F:35 F:31 89.0 0.445 H -74.0 -46.2 89.0 0.445 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
9.799
7.228
6.304
6.716
7.506
9.252
8.596
5.568
4.353
6.361
6.666
7.356
9.580
NZ
NZ
CE
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O6
O3'
C3'
OP1
C5
O6
N4
O6
7dbh 2 P62806 100.0 4e-68 EM
2022-01-19 LYS B:35 B:31 100.0 0.5 H -47.8 -50.0 100.0 0.5 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
8.913
5.793
4.061
5.969
7.879
9.363
7.642
6.486
7.700
9.000
C
N
N
CD
CE
NZ
NZ
NZ
NZ
CE
O3'
O3'
OP2
OP2
N4
N6
C2'
OP2
C7
O6
LYS F:35 F:31 100.0 0.5 H -37.6 -53.7 100.0 0.5 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
7.261
5.572
7.607
8.021
9.509
8.798
6.071
4.460
6.934
7.960
8.979
NZ
NZ
NZ
NZ
NZ
C
N
N
CE
CE
CE
C2'
OP2
N7
N4
O6
O3'
O3'
OP2
C5
O6
N4
7scy 4 P62805 100.0 4e-68 EM
2022-01-12 LYS D:35 B:31 117.0 0.585 H -49.5 -56.2 117.0 0.585 0.0 DA
DC
DG
DT
DG
DC
DG
DA
DA
DA
DA
DC
DG
DC
DA
DC
DG
7.960
5.345
5.776
5.455
6.721
8.643
9.834
9.337
9.917
8.453
4.192
2.327
5.729
4.575
6.304
7.732
9.579
HZ1
HZ1
HZ1
HZ1
HZ3
HZ3
HZ3
H
H
C
H
H
HZ3
HZ3
HZ1
HZ1
HZ1
H2''
H2''
N7
H72
O6
H41
H1
H5'
H5''
O3'
H3'
OP2
H8
H42
H62
H41
H1
LYS H:35 F:31 108.0 0.54 H -47.0 -54.9 108.0 0.54 0.0 DA
DA
DA
DC
DG
DC
DG
DG
DC
DC
DC
DG
DC
DG
DA
8.484
4.589
2.786
5.026
6.598
6.864
8.369
9.750
7.618
5.777
4.872
6.937
6.982
9.223
9.888
C
H
H
HZ2
HZ2
HZ2
HZ1
HZ1
HZ1
HZ1
HZ1
HZ1
HE2
HZ2
H
O3'
H3'
OP2
H5
O6
H42
O6
H1
H2''
H2'
H5
O6
H42
O6
H5''
7scz 4 P62805 100.0 4e-68 EM
2022-01-19 LYS D:35 B:31 117.0 0.585 H -53.5 -52.1 117.0 0.585 0.0 DA
DC
DG
DT
DG
DC
DA
DA
DA
DC
DG
DC
DA
DC
DG
7.972
5.399
5.869
6.184
7.445
9.324
9.241
8.536
4.137
2.441
5.904
5.073
6.987
8.434
9.957
HZ1
HZ1
HE2
HE2
HZ2
HZ2
H
H
H
H
HZ2
HZ2
HZ2
HZ1
HZ1
H2''
H2''
OP2
H71
O6
H41
H5'
O3'
H3'
OP2
H8
H42
H62
H41
H1
LYS H:35 F:31 106.0 0.53 H -50.5 -52.7 106.0 0.53 0.0 DA
DA
DA
DC
DG
DC
DG
DC
DC
DC
DG
DC
DG
DA
8.509
4.443
2.855
4.965
6.704
6.690
8.714
8.271
5.033
4.440
7.081
7.259
9.358
9.911
C
H
H
HZ3
HZ3
HZ3
HZ1
HZ1
HZ1
HZ1
HZ1
HZ3
HZ3
H
O3'
H3'
OP2
H5
O6
H42
O6
H2''
H2'
H5
O6
H42
O6
H5''
7vbm 2 P62806 100.0 4e-68 EM
2022-01-19 LYS B:35 B:31 112.0 0.56 H -54.6 -44.3 112.0 0.56 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.586
5.831
4.207
7.711
7.482
8.707
8.718
6.291
6.127
7.519
8.861
C
N
N
CD
NZ
NZ
NZ
NZ
CE
CE
NZ
O3'
C3'
OP2
OP2
N4
N6
O3'
OP2
OP2
C7
O6
LYS F:35 F:31 100.0 0.5 H -63.1 -45.6 100.0 0.5 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
7.698
5.704
8.213
7.670
9.144
8.661
5.898
4.189
7.067
7.873
9.483
NZ
NZ
NZ
NZ
NZ
C
N
N
CE
NZ
CE
C2'
OP2
N7
N4
O6
O3'
C3'
OP2
C5
O6
N4
5av5 2 P62805 100.0 5e-68 X-RAY
2015-12-23 LYS B:33 B:31 118.0 0.59 H -52.7 -45.9 118.0 0.59 0.0 DC
DA
DT
DG
DT
DT
DT
DG
DA
DA
DC
HOH
9.065
6.012
4.259
6.915
6.419
8.152
6.886
5.620
6.661
6.868
9.322
7.119
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
O4
O4
C2'
OP2
N6
N6
N4
O
LYS F:33 F:31 119.0 0.595 H -58.2 -44.8 119.0 0.595 0.0 DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
6.928
5.690
6.934
7.200
9.837
9.028
6.244
4.315
6.558
6.182
7.890
9.970
2.896
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
O4
O4
N4
O
5av6 2 P62805 100.0 5e-68 X-RAY
2015-12-23 LYS B:33 B:31 118.0 0.59 H -53.7 -45.5 118.0 0.59 0.0 DC
DA
DT
DG
DT
DT
DC
DT
DG
DA
DA
HOH
8.985
6.054
4.222
7.644
6.918
8.414
9.700
6.393
5.354
7.270
7.926
3.349
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
O4
O4
O3'
C2'
OP2
N6
N6
O
LYS F:33 F:31 120.0 0.6 H -59.6 -44.9 120.0 0.6 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
9.855
6.645
5.581
6.896
7.431
9.860
8.959
6.269
4.352
6.737
6.267
7.862
9.973
2.942
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
O4
O4
N4
O
5av8 2 P62805 100.0 5e-68 X-RAY
2015-12-23 LYS B:33 B:31 115.0 0.575 H -50.2 -47.9 115.0 0.575 0.0 DC
DA
DT
DG
DT
DT
DC
DT
DG
DA
DA
HOH
8.933
6.062
4.273
7.798
7.125
8.526
9.440
6.280
5.207
7.405
7.995
3.081
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
N
O3'
C3'
OP2
N7
O4
O4
O3'
C2'
OP2
N6
N6
O
LYS F:33 F:31 123.0 0.615 H -56.7 -42.5 123.0 0.615 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
9.778
6.712
5.707
6.839
7.402
9.903
9.013
6.317
4.402
6.735
6.174
7.750
9.738
2.923
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
O4
O4
N4
O
5av9 2 P62805 100.0 5e-68 X-RAY
2015-12-23 LYS B:33 B:31 116.0 0.58 H -52.7 -46.6 116.0 0.58 0.0 DC
DA
DT
DG
DT
DT
DC
DT
DG
DA
DA
HOH
8.976
6.003
4.222
7.835
7.292
8.570
9.376
6.355
5.383
7.607
8.199
2.947
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
N
O3'
C3'
OP2
N7
C7
O4
O3'
C2'
OP2
N6
N6
O
LYS F:33 F:31 123.0 0.615 H -56.7 -44.9 123.0 0.615 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
9.884
6.764
5.713
6.921
7.431
9.864
9.006
6.331
4.373
6.625
6.139
7.760
9.888
2.937
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
O4
O4
N4
O
5avb 2 P62805 100.0 5e-68 X-RAY
2015-12-23 LYS B:33 B:31 114.0 0.57 H -55.3 -46.8 114.0 0.57 0.0 DC
DA
DT
DG
DT
DT
DT
DG
DA
DA
DC
HOH
9.035
6.110
4.318
7.275
6.651
8.244
6.680
5.417
6.858
7.190
9.654
7.677
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CB
O3'
C3'
OP2
N7
O4
O4
C2'
OP2
N6
N6
N4
O
LYS F:33 F:31 117.0 0.585 H -60.0 -43.5 117.0 0.585 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
HOH
9.927
6.679
5.553
7.000
7.344
9.004
6.190
4.260
6.726
6.445
7.935
9.921
2.918
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
C7
O4
N4
O
5avc 2 P62805 100.0 5e-68 X-RAY
2015-12-23 LYS B:33 B:31 119.0 0.595 H -53.1 -46.6 119.0 0.595 0.0 DC
DA
DT
DG
DT
DT
DT
DG
DA
DA
DC
9.037
6.012
4.264
7.283
6.638
8.277
6.611
5.436
6.987
7.370
9.946
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
O4
O4
C2'
OP2
N6
N6
N4
LYS F:33 F:31 121.0 0.605 H -58.4 -45.0 121.0 0.605 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
HOH
9.964
6.956
5.816
7.073
7.452
9.065
6.271
4.330
6.640
6.227
7.932
2.961
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
C7
O4
O
7lya 2 P62805 100.0 8e-68 EM
2021-07-28 LYS B:36 B:31 104.0 0.52 H -78.5 -39.7 104.0 0.52 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.771
6.073
4.503
7.746
7.099
8.418
9.678
7.330
6.150
7.132
8.356
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
O3'
C2'
OP2
C7
O6
LYS E:36 F:31 95.0 0.475 H -77.3 -38.2 95.0 0.475 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
9.294
7.097
6.363
7.718
8.465
8.819
6.093
4.431
7.481
7.773
8.290
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
7lyb 2 P62805 100.0 8e-68 EM
2021-07-28 LYS B:36 B:31 110.0 0.55 H -51.6 -46.4 110.0 0.55 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.844
6.179
4.411
7.835
7.481
8.641
9.673
6.785
5.973
7.256
8.586
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
O3'
C2'
OP2
C7
O6
LYS E:36 F:31 104.0 0.52 H -56.2 -45.3 104.0 0.52 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
9.336
6.720
6.179
7.572
7.870
9.063
6.132
4.411
7.513
7.480
7.942
9.883
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
O6
7lyc 2 P62805 100.0 8e-68 EM
2021-06-16 LYS B:36 B:31 110.0 0.55 H -62.3 -42.8 110.0 0.55 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.643
5.988
4.364
7.374
6.466
7.692
9.332
6.931
5.793
6.317
7.519
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
O3'
C2'
OP2
C7
O6
LYS E:36 F:31 107.0 0.535 H -63.6 -44.1 107.0 0.535 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
9.084
6.853
6.136
7.102
7.851
9.637
8.697
6.048
4.470
7.009
7.129
7.694
9.824
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
O6
3azi 2 P62805 99.03 9e-68 X-RAY
2011-09-21 GLN B:35 B:31 96.0 0.533 H -55.4 -46.0 96.0 0.533 0.0 DG
DC
DA
DT
DG
DG
DA
8.994
6.374
4.583
7.013
9.797
8.405
7.428
C
N
N
NE2
NE2
NE2
NE2
O3'
C3'
OP2
C7
O6
C2'
OP2
GLN F:35 F:31 93.0 0.517 H -66.2 -51.8 93.0 0.517 0.0 DT
DG
DA
DA
DC
DA
DT
DG
DT
HOH
8.088
6.778
9.303
8.890
8.687
6.042
4.796
7.534
8.259
5.757
NE2
NE2
NE2
NE2
C
N
N
OE1
NE2
OE1
C2'
OP2
N6
N6
O3'
C3'
OP2
OP2
O4
O
3azj 2 P62805 99.03 9e-68 X-RAY
2011-09-21 LYS B:35 B:31 111.0 0.555 H -48.4 -65.4 111.0 0.555 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
DA
9.075
6.230
4.689
5.761
6.528
7.895
9.941
6.563
5.449
6.597
6.688
9.701
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
O4
C2'
OP2
N6
N4
N6
LYS F:35 F:31 114.0 0.57 H -49.5 -45.9 114.0 0.57 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
9.769
6.569
5.566
7.068
7.487
9.999
9.102
6.079
4.283
7.151
6.455
7.910
9.507
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
3azn 2 P62805 99.03 9e-68 X-RAY
2011-09-21 LYS B:35 B:31 108.0 0.54 H -50.6 -55.7 108.0 0.54 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
9.223
6.282
4.684
6.550
7.452
8.478
9.548
6.258
5.308
7.468
7.739
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
LYS F:35 F:31 120.0 0.6 H -56.3 -45.7 120.0 0.6 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
9.876
6.667
5.682
7.071
7.715
9.899
9.062
6.188
4.439
7.120
6.808
7.900
9.694
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
3azm 2 P62805 99.03 9e-68 X-RAY
2011-09-21 LYS B:35 B:31 101.0 0.505 H -51.5 -63.9 101.0 0.505 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
8.808
5.899
4.278
5.944
7.790
9.025
9.952
6.687
6.183
8.367
8.754
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
LYS F:35 F:31 107.0 0.535 H -94.2 -53.0 107.0 0.535 0.0 DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
7.307
6.090
7.312
7.282
9.243
8.562
5.971
4.807
6.681
6.554
8.569
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
O4
O4
3azk 2 P62805 99.03 9e-68 X-RAY
2011-09-21 LYS B:35 B:31 110.0 0.55 H -57.7 -51.4 110.0 0.55 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
9.197
5.964
4.305
6.251
7.165
8.103
9.809
6.292
5.222
7.192
7.441
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
LYS F:35 F:31 119.0 0.595 H -56.8 -41.0 119.0 0.595 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
9.758
6.444
5.429
7.252
7.758
9.984
8.919
5.970
4.231
7.553
6.804
8.361
9.838
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
3azl 2 P62805 99.03 9e-68 X-RAY
2011-09-21 LYS B:35 B:31 110.0 0.55 H -47.6 -62.8 110.0 0.55 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
HOH
9.132
6.381
4.650
6.352
7.145
8.323
9.757
6.243
5.230
7.203
7.386
3.391
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CE
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
O
LYS F:35 F:31 111.0 0.555 H -51.0 -45.3 111.0 0.555 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
9.822
6.587
5.715
7.012
7.532
9.930
9.072
6.050
4.323
6.846
6.361
7.826
9.586
2.878
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
O
4uuz 2 P84040 99.03 1e-67 X-RAY
2015-02-11 LYS B:32 B:31 118.0 0.59 H -59.9 -43.3 107.0 0.535 0.055 C:P49736:0.055
6pwe 2 A0A0B4KFZ9 99.03 1e-67 EM
2019-08-21 LYS B:32 B:31 122.0 0.61 H -63.2 -52.1 122.0 0.61 0.0 DA
DA
DA
DC
DG
DC
DC
DC
DC
DG
DC
DG
8.978
5.586
3.724
6.294
6.738
7.687
9.990
6.472
5.648
7.290
8.509
9.419
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
NZ
O3'
O3'
OP2
C5
O6
N4
O3'
C2'
OP2
O6
N4
O6
LYS F:32 F:31 123.0 0.615 H -63.3 -52.2 123.0 0.615 0.0 DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
DC
6.776
5.675
6.734
7.653
8.879
5.494
3.904
7.349
6.941
8.723
9.393
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
OP2
C7
O6
O3'
C3'
OP2
N7
N4
N6
N4
6pwf 2 A0A0B4KFZ9 99.03 1e-67 EM
2019-08-21 LYS B:32 B:31 114.0 0.57 S -65.0 -45.6 114.0 0.57 0.0 DA
DA
DA
DC
DG
DC
DC
DC
DC
DG
DC
8.774
6.024
4.257
6.966
7.946
7.481
9.664
6.455
5.567
8.057
8.776
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
C5
O6
N4
O3'
C2'
OP2
O6
N4
LYS F:32 F:31 109.0 0.545 S -69.1 -46.8 109.0 0.545 0.0 DA
DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
9.637
6.183
5.207
7.000
8.614
9.198
6.000
4.319
7.414
7.822
8.782
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
C2'
OP2
C7
O6
O3'
C3'
OP2
N7
N4
N6
6xws 2 A0A0B4KFZ9 99.03 1e-67 X-RAY
2020-04-15 LYS B:32 B:32 141.0 0.705 H -70.7 -45.2 141.0 0.705 0.0
6xwt 2 A0A0B4KFZ9 99.03 1e-67 X-RAY
2020-04-01 LYS B:32 B:32 119.0 0.595 H -53.9 -55.8 119.0 0.595 0.0
LYS D:32 D:32 124.0 0.62 S -122.2 -55.8 124.0 0.62 0.0
6c0w 2 P62805 100.0 2e-67 EM
2018-01-17 LYS B:32 B:31 106.0 0.53 T -69.6 -32.9 106.0 0.53 0.0 DA
DA
DC
DG
DC
DG
DT
8.863
5.513
4.180
5.933
9.887
8.243
9.708
N
N
N
NZ
CB
O
O
O3'
C3'
OP1
OP2
N4
OP2
C7
LYS F:32 F:31 135.0 0.675 H -62.2 -47.9 135.0 0.675 0.0 DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
8.057
7.389
8.097
8.907
8.912
5.619
3.810
6.534
8.094
8.147
9.861
NZ
NZ
NZ
NZ
C
N
N
CD
NZ
NZ
NZ
C2'
C5
O6
N4
O3'
C3'
OP2
OP2
O6
N4
O6
7by0 2 P62805 100.0 2e-67 EM
2021-02-10 LYS B:32 B:31 119.0 0.595 H -62.2 -41.4 119.0 0.595 0.0 DA
DA
DC
DG
DC
DG
DT
DG
DG
6.001
3.479
3.352
7.181
9.050
9.452
9.478
9.521
9.754
NZ
NZ
CE
NZ
NZ
O
NZ
NZ
NZ
O3'
C2'
OP2
N7
N4
OP2
C7
O6
O6
LYS F:32 F:31 117.0 0.585 H -58.0 -29.9 117.0 0.585 0.0 DC
DC
DG
DC
DG
DT
DA
DA
DA
DC
DG
DC
9.755
8.534
8.269
6.781
7.745
9.946
8.363
4.706
3.581
5.283
7.015
9.541
NZ
NZ
NZ
NZ
NZ
NZ
N
CE
CE
NZ
NZ
NZ
C2'
C5
O6
N4
O6
O4
O3'
C2'
OP2
C5
O6
N4
2hio 4 P62801 99.03 4e-67 X-RAY
2000-01-12 LYS D:32 D:31 100.0 0.5 H -36.5 -45.0 100.0 0.5 0.0
5b40 2 P62805 99.03 4e-67 X-RAY
2016-06-22 CYS B:35 B:31 56.0 0.415 H -66.5 -33.9 56.0 0.415 0.0 DG
DC
DA
DT
DA
8.607
6.097
4.401
7.536
8.398
C
N
N
CB
O
O3'
C3'
OP2
C7
OP2
CYS F:35 F:31 57.0 0.422 H -65.0 -33.2 57.0 0.422 0.0 DG
DC
DA
DT
DG
DT
8.526
8.642
5.816
4.669
8.263
9.954
O
C
N
N
SG
CB
OP2
O3'
C3'
OP2
OP2
O4
1kx3 3 P62799 100.0 5e-67 X-RAY
2002-12-25 LYS D:31 B:31 109.0 0.545 H -54.4 -45.1 109.0 0.545 0.0 DG
DC
DA
DT
DG
DT
DT
DT
DG
DA
DA
DC
MN
HOH
9.065
6.299
4.680
5.621
6.501
8.012
9.948
9.749
6.010
5.212
6.688
7.159
7.855
2.627
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
C7
O6
O4
O4
C2'
C2'
OP2
N6
N4
MN
O
LYS H:31 F:31 112.0 0.56 H -52.4 -47.3 112.0 0.56 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
9.338
6.122
5.341
6.777
7.465
9.867
8.854
6.209
4.252
7.000
6.351
7.723
9.622
2.897
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
O
1kx4 3 P02304 100.0 5e-67 X-RAY
2002-12-25 LYS D:31 B:31 102.0 0.51 H -57.6 -52.4 102.0 0.51 0.0 DG
DA
DA
DA
DC
DT
DT
DG
DA
DA
DG
DT
HOH
8.801
5.934
4.100
6.844
6.559
8.218
9.250
6.468
5.488
7.087
7.658
9.972
2.629
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
O4
O3'
C2'
OP2
N6
O6
O4
O
LYS H:31 F:31 108.0 0.54 H -53.8 -54.3 108.0 0.54 0.0 DT
DT
DG
DA
DA
DA
DA
DA
DC
DT
DT
HOH
9.615
6.740
5.295
8.380
8.275
8.789
5.893
4.127
7.356
7.728
9.660
3.209
NZ
NZ
NZ
CE
CE
C
N
N
CE
CE
CE
NZ
C2'
C2'
OP2
N6
N6
O3'
C3'
OP2
C5
O4
O4
O
1kx5 4 P02304 100.0 5e-67 X-RAY
2002-12-25 LYS D:31 B:31 105.0 0.525 H -55.9 -43.5 105.0 0.525 0.0 DC
DA
DT
DG
DT
DT
DC
DC
DT
DG
DA
DA
DC
HOH
8.902
5.895
4.089
7.175
6.634
8.166
9.912
9.727
6.386
5.413
6.946
7.501
9.735
2.870
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
O4
O4
N4
C2'
C2'
OP2
N6
N6
N4
O
LYS H:31 F:31 108.0 0.54 H -57.3 -47.0 108.0 0.54 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
HOH
9.379
6.328
5.495
7.017
7.652
8.967
6.367
4.324
6.965
6.340
7.840
9.751
2.984
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
O4
O4
N4
O
1m18 3 P02304 100.0 5e-67 X-RAY
2003-02-18 LYS D:31 B:31 108.0 0.54 H -49.7 -53.3 108.0 0.54 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
HOH
9.066
6.359
4.542
6.220
6.833
8.410
9.830
6.178
5.306
6.993
7.607
3.334
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CB
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
O
LYS H:31 F:231 108.0 0.54 H -62.1 -41.4 108.0 0.54 0.0 DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
6.812
5.672
6.633
6.938
9.493
9.069
6.146
4.408
6.448
6.006
7.770
9.863
2.961
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
O4
O4
N4
O
1m19 3 P02304 100.0 5e-67 X-RAY
2003-02-18 LYS D:31 B:31 98.0 0.49 H -53.2 -46.7 98.0 0.49 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
HOH
8.900
6.096
4.336
6.312
7.154
8.593
9.468
5.963
5.222
7.229
8.001
2.919
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
O
LYS H:31 F:231 113.0 0.565 H -60.1 -40.4 113.0 0.565 0.0 DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
6.543
5.580
6.763
6.867
9.621
8.916
6.139
4.427
6.547
6.421
7.867
9.981
2.972
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
O
1m1a 3 P02304 100.0 5e-67 X-RAY
2003-02-18 LYS D:31 B:31 95.0 0.475 H -54.7 -40.9 95.0 0.475 0.0 DC
DA
DT
DG
DT
DT
DC
DT
DG
DA
DA
HOH
9.036
6.116
4.408
8.313
7.568
8.518
9.267
5.928
5.199
7.511
8.340
3.813
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
C7
O4
O3'
C2'
OP2
N6
N6
O
LYS H:31 F:231 100.0 0.5 H -49.8 -47.3 100.0 0.5 0.0 DT
DG
DA
DA
DC
DA
DG
DC
DA
DT
DG
DT
HOH
9.816
6.262
5.614
7.162
7.585
9.682
8.835
6.198
4.354
5.921
7.172
8.291
2.971
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N4
N6
O3'
C3'
OP2
C7
O6
O4
O
1p34 3 P62799 100.0 5e-67 X-RAY
2004-02-24 LYS D:31 B:31 102.0 0.51 H -45.9 -55.0 102.0 0.51 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
HOH
8.907
6.527
4.640
6.390
7.031
8.387
8.864
5.957
5.126
6.683
7.532
6.761
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
N
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
O
LYS H:31 F:231 108.0 0.54 H -47.4 -49.9 108.0 0.54 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
HOH
8.476
6.498
5.612
7.471
8.190
8.905
6.093
4.135
7.285
6.553
7.972
9.844
2.939
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
O3'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
C7
O4
N4
O
1p3a 3 P62799 100.0 5e-67 X-RAY
2004-02-24 LYS D:31 B:31 106.0 0.53 H -54.7 -49.4 106.0 0.53 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
HOH
8.802
6.364
4.664
6.249
7.511
8.430
9.042
6.153
5.553
7.187
8.047
6.730
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
NZ
CE
N
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
O
LYS H:31 F:231 100.0 0.5 H -45.3 -47.6 100.0 0.5 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
8.688
6.189
5.294
7.168
7.878
9.960
9.033
6.108
4.394
7.227
6.561
7.864
9.865
6.622
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
O3'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
O
1p3k 3 P62799 100.0 5e-67 X-RAY
2004-02-24 LYS D:31 B:31 112.0 0.56 H -43.3 -57.4 112.0 0.56 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
DA
HOH
8.884
6.649
5.017
5.996
6.845
8.195
9.796
6.607
5.595
6.813
7.269
9.958
6.384
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
NZ
N
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
N6
O
LYS H:31 F:231 104.0 0.52 H -58.4 -45.9 104.0 0.52 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
HOH
9.516
6.197
5.383
7.200
7.704
8.886
6.041
4.219
7.247
6.768
7.902
9.555
3.143
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
O3'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
O4
O4
N4
O
1p3l 3 P62799 100.0 5e-67 X-RAY
2004-02-24 LYS D:31 B:31 104.0 0.52 H -50.9 -42.8 104.0 0.52 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
HOH
9.092
6.389
4.832
6.337
7.597
8.898
9.462
6.007
5.377
7.304
8.162
6.915
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
N
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
O
LYS H:31 F:231 111.0 0.555 H -58.3 -47.3 111.0 0.555 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
HOH
9.688
6.546
5.581
7.368
7.952
8.939
6.064
4.261
7.158
6.845
8.133
2.905
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
C7
O4
O
1p3m 3 P62799 100.0 5e-67 X-RAY
2004-02-24 LYS D:31 B:31 104.0 0.52 H -43.3 -58.1 104.0 0.52 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
9.023
6.146
4.561
5.619
7.649
9.093
9.022
6.556
5.394
7.445
7.678
C
N
CB
CD
CE
NZ
NZ
NZ
NZ
CE
CE
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
LYS H:31 F:231 114.0 0.57 H -60.4 -44.9 114.0 0.57 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
9.411
6.636
5.588
7.163
7.572
9.617
9.010
5.799
4.097
7.032
6.638
7.753
9.732
6.506
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
O3'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
O
1s32 3 P02304 100.0 5e-67 X-RAY
2004-05-11 LYS D:31 B:31 112.0 0.56 H -57.9 -50.2 112.0 0.56 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
MN
HOH
9.005
6.434
4.740
5.477
6.727
8.048
9.339
6.305
5.548
6.676
7.331
7.838
3.151
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
NZ
N
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
MN
O
LYS H:31 F:231 111.0 0.555 H -58.2 -46.9 111.0 0.555 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
HOH
9.434
6.334
5.501
7.044
7.820
8.952
6.211
4.330
7.167
6.473
7.983
9.730
2.927
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
C7
O4
N4
O
1zbb 4 P62799 100.0 5e-67 X-RAY
2005-07-12 LYS D:31 B:31 107.0 0.535 H -55.9 -43.5 107.0 0.535 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
9.722
6.380
5.402
6.937
7.483
9.710
8.883
5.881
4.080
7.156
6.622
8.159
9.912
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
O4
O4
N4
LYS H:31 F:31 106.0 0.53 H -57.0 -47.3 106.0 0.53 0.0 DC
DA
DT
DG
DT
DT
DC
DC
DT
DG
DA
DA
8.946
6.355
4.315
6.949
6.330
7.835
9.749
9.364
6.318
5.487
7.009
7.638
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
N7
O4
O4
N4
C2'
C2'
OP2
N6
N6
LYS L:31 b:31 109.0 0.545 H -55.8 -43.5 109.0 0.545 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
9.723
6.379
5.402
6.935
7.482
9.711
8.887
5.884
4.080
7.157
6.620
8.156
9.908
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
O4
O4
N4
LYS P:31 f:31 109.0 0.545 H -57.2 -47.1 109.0 0.545 0.0 DC
DA
DT
DG
DT
DT
DC
DC
DT
DG
DA
DA
8.947
6.354
4.314
6.950
6.332
7.837
9.748
9.361
6.314
5.486
7.011
7.639
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
N7
O4
O4
N4
C2'
C2'
OP2
N6
N6
1zla 3 P62799 100.0 5e-67 X-RAY
2006-02-28 LYS D:31 B:31 104.0 0.52 H -57.5 -53.1 104.0 0.52 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
HOH
9.043
6.095
4.503
6.466
7.155
8.790
8.938
6.180
5.461
7.309
7.944
8.625
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CE
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
O
LYS H:31 F:231 116.0 0.58 H -56.0 -44.4 116.0 0.58 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
HOH
9.622
6.603
5.687
7.540
7.900
8.725
5.865
4.080
7.248
6.358
7.774
9.781
4.994
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
CE
C2'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
C7
O4
N4
O
2fj7 4 P62799 100.0 5e-67 X-RAY
2006-09-26 LYS D:31 B:31 108.0 0.54 H -57.0 -55.9 108.0 0.54 0.0 DT
DG
DA
DA
DC
DA
DC
DA
DT
DG
DT
DT
8.858
7.039
6.824
7.122
7.682
8.880
8.125
5.283
4.008
5.142
6.703
8.918
NZ
NZ
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
C2'
OP2
N6
N6
N4
N6
O3'
O3'
OP2
O6
C7
O4
LYS H:31 F:31 97.0 0.485 H -46.1 -44.1 97.0 0.485 0.0 DA
DG
DC
DT
DA
DA
DA
DA
DT
DT
DA
8.240
5.389
3.954
5.328
7.837
7.609
6.555
5.336
5.788
7.657
8.998
C
N
N
CD
NZ
NZ
NZ
CE
CE
CE
CE
O3'
O3'
OP2
C7
N6
N6
C2'
OP2
C7
O4
N6
2io5 3 P62799 100.0 5e-67 X-RAY
2007-02-27 LYS C:31 C:31 91.0 0.455 H -64.2 -52.9 91.0 0.455 0.0
2nzd 4 P62799 100.0 5e-67 X-RAY
2007-04-10 LYS D:31 B:31 106.0 0.53 H -58.3 -51.1 106.0 0.53 0.0 DG
DC
DA
DT
DG
DT
DT
DT
DG
DA
DA
DC
DA
HOH
9.064
6.490
4.895
5.948
6.859
7.778
9.833
9.279
5.834
5.030
6.388
6.716
9.495
7.602
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CE
CB
O3'
C3'
OP2
C7
O6
O4
O4
O3'
C2'
OP2
N6
N4
N6
O
LYS H:31 F:31 105.0 0.525 H -56.4 -43.3 105.0 0.525 0.0 DT
DG
DA
DA
DC
DG
DC
DA
DT
DG
DT
DT
HOH
9.979
6.377
5.643
6.795
7.405
9.320
6.271
4.560
5.602
6.822
7.776
9.947
2.814
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N4
O3'
O3'
OP2
C7
O6
O4
O4
O
3b6f 4 P62799 100.0 5e-67 X-RAY
2007-12-25 LYS D:31 B:31 107.0 0.535 H -48.0 -43.9 107.0 0.535 0.0 DC
DA
DT
DG
DT
DT
DC
DT
DG
DA
DA
8.842
5.950
4.301
7.370
7.275
9.444
9.292
7.080
5.929
8.175
8.688
C
N
N
CE
NZ
NZ
NZ
NZ
NZ
NZ
CE
O3'
O3'
OP2
N7
O4
O4
O3'
OP2
OP2
N6
N6
LYS H:31 F:31 119.0 0.595 H -28.6 -50.8 119.0 0.595 0.0 DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
7.904
6.910
6.847
6.276
8.718
8.752
6.001
4.248
4.813
5.501
8.222
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C7
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
3b6g 4 P62799 100.0 5e-67 X-RAY
2007-12-25 LYS D:31 B:31 101.0 0.505 H -50.7 -43.7 101.0 0.505 0.0 DC
DA
DT
DG
DT
DT
DC
DT
DG
DA
DA
9.274
6.059
4.207
7.629
7.345
9.463
9.334
7.141
5.841
8.035
8.301
C
N
N
CE
NZ
NZ
NZ
NZ
NZ
NZ
CE
O3'
O3'
OP2
N7
O4
O4
O3'
OP2
OP2
N6
N6
LYS H:31 F:31 86.0 0.43 H -45.8 -46.7 86.0 0.43 0.0 DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
8.181
5.857
7.454
6.593
8.570
9.339
6.152
4.598
5.963
6.335
8.981
CE
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
N6
N6
N4
O3'
O3'
OP2
N7
O4
O4
3c1b 2 P62799 100.0 5e-67 X-RAY
2008-10-07 LYS B:31 B:31 104.0 0.52 H -58.6 -46.9 104.0 0.52 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
HOH
8.946
6.246
4.567
6.357
7.174
8.497
9.601
6.088
5.198
7.060
7.693
3.057
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
O
LYS F:31 F:231 113.0 0.565 H -54.9 -49.3 113.0 0.565 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
9.667
6.311
5.351
6.879
7.475
9.809
8.970
6.233
4.370
6.952
6.423
7.845
9.798
2.947
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
O
3c1c 2 P62799 100.0 5e-67 X-RAY
2008-10-07 LYS B:31 B:31 99.0 0.495 H -58.9 -52.3 99.0 0.495 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
HOH
8.950
6.072
4.457
6.372
7.921
8.904
9.487
6.376
5.569
7.468
8.087
8.742
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
NZ
NZ
N
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
O
LYS F:31 F:231 111.0 0.555 H -59.2 -41.4 111.0 0.555 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
HOH
9.816
6.772
5.761
7.497
8.276
8.912
6.062
4.407
7.224
6.455
8.121
3.045
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
C7
O4
O
3c9k 4 P62801 100.0 5e-67 EM
2009-01-06 LYS D:31 D:31 101.0 0.505 H -36.5 -45.0 101.0 0.505 0.0
LYS H:31 H:31 101.0 0.505 H -36.6 -45.0 101.0 0.505 0.0
3kuy 2 P62799 100.0 5e-67 X-RAY
2010-01-05 LYS B:31 B:31 107.0 0.535 H -49.1 -55.1 107.0 0.535 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
9.018
6.338
4.625
5.933
7.467
8.410
9.236
6.285
5.667
6.912
7.262
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
LYS F:31 F:31 109.0 0.545 H -60.6 -42.6 109.0 0.545 0.0 DG
DA
DA
DC
DA
DG
DC
DA
DT
DG
DT
7.258
6.067
6.213
6.208
8.722
9.122
5.956
4.426
4.555
6.269
7.874
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
N6
N4
N6
O3'
O3'
OP2
C7
O6
O4
3kxb 2 P62799 100.0 5e-67 X-RAY
2010-06-23 LYS B:31 B:31 109.0 0.545 H -54.7 -46.9 109.0 0.545 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
HOH
9.101
6.177
4.565
6.260
7.548
8.759
9.494
6.115
5.531
7.267
8.121
7.250
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
N
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
O
LYS F:31 F:31 80.0 0.4 T -66.7 7.5 80.0 0.4 0.0 DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
8.092
6.116
8.392
8.517
9.793
8.298
5.456
3.958
7.909
8.431
NZ
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
C2'
OP2
N7
N6
N4
O3'
C3'
OP2
N7
O4
3lel 2 P62799 100.0 5e-67 X-RAY
2010-05-19 LYS B:31 B:31 116.0 0.58 H -39.9 -48.1 116.0 0.58 0.0 DA
DA
DT
DG
DT
DT
DA
DG
DA
DA
DC
8.361
5.680
4.124
6.590
6.142
8.623
7.372
6.119
7.963
7.542
9.958
C
N
N
NZ
NZ
NZ
NZ
CE
NZ
NZ
NZ
O3'
C3'
OP1
N7
O4
O4
C2'
OP2
N6
N6
N4
LYS F:31 F:31 108.0 0.54 H -48.7 -44.9 108.0 0.54 0.0 DA
DA
DG
DA
DA
DC
DA
DA
DT
DG
DT
DT
9.734
6.475
5.463
7.589
7.689
9.705
8.508
6.069
4.600
6.664
6.370
8.374
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
C2'
OP2
N6
N6
N4
O3'
C3'
OP1
N7
O4
O4
LYS L:31 L:31 110.0 0.55 H -47.8 -52.4 NA NA NA
LYS P:31 P:31 107.0 0.535 H -64.5 -49.3 NA NA NA
3lja 2 P62799 100.0 5e-67 X-RAY
2010-04-14 LYS B:31 B:31 108.0 0.54 H -51.0 -52.1 108.0 0.54 0.0 DC
DA
DT
DG
DT
DT
DC
DT
DG
DA
DA
DC
9.066
6.153
4.374
7.018
6.229
7.901
9.998
6.842
5.666
6.929
7.378
9.912
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
NZ
O3'
C3'
OP2
N7
C7
O4
N4
C2'
OP2
N6
N6
N4
LYS F:31 F:31 109.0 0.545 H -41.1 -49.5 109.0 0.545 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
9.942
6.842
5.894
7.108
7.523
9.868
9.113
6.276
4.471
6.599
6.224
7.685
9.752
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C2'
OP2
N6
N6
N4
O3'
O3'
OP2
N7
C7
O4
N4
3lz0 2 P62799 100.0 5e-67 X-RAY
2010-09-15 LYS B:31 B:31 111.0 0.555 H -71.4 -38.8 111.0 0.555 0.0 DA
DA
DC
DG
DC
DA
DC
DC
DG
DT
DG
DC
8.667
5.644
3.701
6.952
6.437
7.448
9.963
6.855
6.150
6.063
7.342
9.928
N
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
N7
N4
N6
N4
C2'
OP2
C7
O6
N4
LYS F:31 F:31 116.0 0.58 H -45.5 -53.0 116.0 0.58 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
9.741
7.296
6.105
7.788
8.561
8.894
6.159
4.240
7.423
8.018
9.047
NZ
CE
CE
CE
CE
C
N
N
CD
CE
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
3lz1 2 P62799 100.0 5e-67 X-RAY
2010-09-15 LYS B:31 B:31 107.0 0.535 H -66.0 -40.6 107.0 0.535 0.0 DA
DA
DA
DC
DG
DC
DG
DC
DC
DC
DG
DC
DG
8.694
5.759
3.781
7.451
7.243
7.983
9.794
9.261
6.355
5.738
6.508
8.327
9.939
C
N
N
CE
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CE
O3'
O3'
OP2
C5
O6
N4
O6
O3'
C2'
OP2
O6
N4
O6
LYS F:31 F:31 115.0 0.575 H -43.0 -53.8 115.0 0.575 0.0 DA
DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
9.780
7.411
6.063
7.375
8.189
8.872
6.234
4.209
7.714
7.414
8.934
NZ
CE
CE
CE
CE
C
N
N
CD
CE
CE
O3'
C3'
OP2
C7
O6
O3'
O3'
OP2
N7
N4
N6
3mgp 2 P62799 100.0 5e-67 X-RAY
2010-06-16 LYS B:31 B:31 108.0 0.54 H -49.6 -43.5 108.0 0.54 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
DA
CO
8.958
6.628
4.377
6.155
7.113
8.160
9.023
5.866
5.158
7.162
7.381
9.410
7.297
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
O3'
O3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
N6
CO
LYS F:31 F:31 106.0 0.53 H -61.7 -42.8 106.0 0.53 0.0 DC
DT
DG
DA
DA
DA
DT
DG
DT
DT
DC
DA
7.363
4.696
6.677
6.837
9.517
8.818
6.522
4.577
5.434
6.145
7.492
9.370
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C3'
C7
O6
N6
N6
O3'
O3'
OP2
C7
O4
N4
N6
3mgq 2 P62799 100.0 5e-67 X-RAY
2010-06-16 LYS B:31 B:31 102.0 0.51 H -46.3 -46.9 102.0 0.51 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
DA
NI
8.979
6.672
4.489
6.343
7.159
8.336
9.180
6.022
5.011
6.760
7.339
9.654
7.675
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
N6
NI
LYS F:31 F:31 109.0 0.545 H -51.4 -52.0 109.0 0.545 0.0 DC
DT
DG
DA
DA
DA
DT
DG
DT
DT
DC
DA
7.628
4.996
6.948
7.134
9.382
8.685
6.347
4.485
5.079
5.944
7.295
9.616
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C3'
C7
O6
N6
N6
O3'
O3'
OP2
C7
O4
N4
N6
3mgr 2 P62799 100.0 5e-67 X-RAY
2010-06-16 LYS B:31 B:31 105.0 0.525 H -44.1 -53.1 105.0 0.525 0.0 DC
DA
DT
DG
DT
DT
DC
DC
DT
DG
DA
DA
9.044
6.254
4.330
7.336
6.810
8.010
9.978
9.573
6.425
5.458
6.888
7.448
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
N7
C7
O4
N4
O3'
C2'
OP2
N6
N6
LYS F:31 F:31 109.0 0.545 H -52.7 -46.1 109.0 0.545 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
9.646
6.525
5.582
6.691
7.303
9.067
6.368
4.481
6.747
6.162
7.690
9.507
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
O4
O4
N4
3mgs 2 P62799 100.0 5e-67 X-RAY
2010-06-16 LYS B:31 B:31 103.0 0.515 H -43.3 -51.5 103.0 0.515 0.0 DC
DA
DT
DG
DT
DT
DC
DT
DG
DA
DA
9.005
6.201
4.452
7.659
7.067
8.373
9.312
6.493
5.540
7.219
7.797
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
N7
C7
O4
O3'
C2'
OP2
N6
N6
LYS F:31 F:31 107.0 0.535 H -54.4 -45.9 107.0 0.535 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
9.586
6.628
5.713
7.152
7.756
8.949
6.296
4.316
7.129
6.554
8.093
9.718
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
O4
O4
N4
3mnn 2 P62799 100.0 5e-67 X-RAY
2011-04-06 LYS B:31 B:31 109.0 0.545 H -52.5 -51.9 109.0 0.545 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
9.153
6.401
4.355
6.403
7.724
8.260
8.587
5.619
4.859
6.639
7.481
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
LYS F:31 F:31 110.0 0.55 H -49.7 -52.5 110.0 0.55 0.0 DG
DA
DA
DC
DA
DG
DC
DA
DT
DG
DT
DT
HOH
6.510
5.508
6.462
6.860
9.350
9.069
6.084
4.531
5.374
6.678
7.601
9.776
2.834
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
OP2
N6
N4
N6
O3'
O3'
OP2
C7
O6
O4
O4
O
3mvd 2 P62799 100.0 5e-67 X-RAY
2010-08-25 LYS B:31 B:31 106.0 0.53 H -53.4 -55.2 106.0 0.53 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
8.378
6.314
5.282
7.138
8.315
9.981
8.765
6.124
4.269
7.222
7.722
8.862
NZ
NZ
CE
CE
CE
CD
C
N
N
CD
CE
CE
O3'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
LYS F:31 F:31 107.0 0.535 H -56.8 -49.4 107.0 0.535 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
DC
8.699
6.103
4.865
7.047
6.617
7.688
9.163
6.521
5.434
6.225
7.314
9.893
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
O3'
C2'
OP2
C7
O6
N4
3o62 2 P62799 100.0 5e-67 X-RAY
2011-01-05 LYS B:31 B:31 68.0 0.34 H -51.3 -41.2 68.0 0.34 0.0 DG
DC
DA
DT
DG
DG
DA
DA
DC
DA
9.349
6.350
5.267
6.504
9.284
8.375
6.036
9.188
9.211
9.919
N
N
N
CE
CE
NZ
NZ
CE
CE
CE
O3'
C3'
OP2
C7
O6
C3'
OP2
N7
N4
N6
LYS F:31 F:31 65.0 0.325 H -53.4 -41.3 65.0 0.325 0.0 DT
DC
DA
DA
DC
DG
DA
DT
DG
DT
8.192
6.254
9.217
9.362
9.761
8.563
5.615
4.254
7.708
8.627
NZ
NZ
CE
CE
CE
C
N
N
CE
CD
O3'
OP2
N7
N6
N4
O3'
O3'
OP1
N7
C7
3reh 2 P62799 100.0 5e-67 X-RAY
2012-03-14 LYS B:31 B:31 103.0 0.515 H -52.7 -53.4 103.0 0.515 0.0 DG
DC
DA
DT
DG
DT
DT
DT
DG
DA
DA
DC
DA
HOH
9.118
6.494
4.657
5.866
7.037
7.866
9.922
9.142
5.946
5.077
6.667
7.025
9.349
7.648
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CE
CB
O3'
C3'
OP2
C7
O6
O4
O4
O3'
C2'
OP2
N6
N4
N6
O
LYS F:31 F:31 106.0 0.53 H -55.3 -51.0 106.0 0.53 0.0 DT
DG
DA
DA
DC
DG
DC
DA
DT
DG
DT
DT
HOH
9.276
6.168
5.539
7.192
7.796
9.330
6.244
4.607
5.906
7.213
8.050
9.987
2.802
NZ
NZ
NZ
NZ
CE
C
N
N
CD
NZ
NZ
NZ
N
O3'
C2'
OP2
N6
N4
O3'
O3'
OP2
C7
O6
O4
O4
O
3rei 2 P62799 100.0 5e-67 X-RAY
2012-03-14 LYS B:31 B:31 103.0 0.515 H -49.6 -50.7 103.0 0.515 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
DA
PT
9.204
6.475
4.807
5.988
7.199
8.076
9.023
5.827
4.980
7.069
7.196
9.415
8.195
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
N6
PT
LYS F:31 F:31 103.0 0.515 H -51.1 -52.9 103.0 0.515 0.0 DT
DG
DA
DA
DC
DG
DC
DA
DT
DG
DT
PT
9.181
6.058
5.427
7.175
7.646
9.204
6.328
4.699
5.931
7.373
8.156
8.033
NZ
NZ
NZ
NZ
CE
C
N
N
CD
NZ
NZ
NZ
O3'
C2'
OP2
N6
N4
O3'
C3'
OP2
C7
O6
O4
PT
3rej 2 P62799 100.0 5e-67 X-RAY
2012-03-14 LYS B:31 B:31 108.0 0.54 H -56.5 -54.4 108.0 0.54 0.0 DG
DA
DA
DA
DC
DT
DT
DG
DA
DA
DG
DT
HOH
8.840
6.072
4.345
6.810
5.984
7.935
9.639
6.581
5.912
7.103
7.479
9.873
2.906
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
N
O3'
C3'
OP2
N7
N4
O4
O3'
C2'
OP2
N6
O6
O4
O
LYS F:31 F:31 115.0 0.575 H -45.0 -53.5 115.0 0.575 0.0 DT
DT
DG
DA
DA
DG
DA
DA
DA
DC
DT
DT
HOH
9.598
6.856
5.475
8.045
8.106
9.736
8.832
6.108
4.351
7.091
7.288
9.387
3.109
NZ
NZ
NZ
CE
CE
CE
C
N
N
CE
CE
CE
NZ
O3'
C2'
OP2
N6
N6
O6
O3'
C3'
OP2
C5
O4
O4
O
3rek 2 P62799 100.0 5e-67 X-RAY
2012-03-14 LYS B:31 B:31 108.0 0.54 H -53.7 -54.5 108.0 0.54 0.0 DG
DA
DA
DA
DC
DT
DT
DG
DA
DA
DG
PT
8.823
6.055
4.255
6.905
6.179
8.088
9.399
6.489
5.895
7.252
7.595
8.259
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
O4
O3'
C2'
OP2
N6
O6
PT
LYS F:31 F:31 115.0 0.575 H -42.4 -53.0 115.0 0.575 0.0 DT
DT
DG
DA
DA
DG
DA
DA
DA
DC
DT
DT
9.462
6.815
5.391
8.200
8.091
9.709
8.978
6.069
4.344
6.992
7.231
9.459
NZ
NZ
NZ
CE
CE
CE
C
N
N
CE
CE
CE
O3'
C3'
OP2
N6
N6
O6
O3'
C3'
OP2
C5
C7
O4
3rel 2 P62799 100.0 5e-67 X-RAY
2012-03-14 LYS B:31 B:31 114.0 0.57 H -59.2 -52.5 114.0 0.57 0.0 DG
DA
DA
DA
DC
DT
DT
DT
DG
DA
DA
DG
PT
PT
8.787
5.879
4.001
6.886
6.150
8.051
9.960
9.312
6.398
5.768
6.925
7.421
8.003
7.737
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
O4
O4
O3'
C2'
OP2
N6
O6
PT
PT
LYS F:31 F:31 112.0 0.56 H -40.5 -55.8 112.0 0.56 0.0 DT
DT
DG
DA
DA
DG
DA
DA
DA
DC
DT
DT
PT
9.635
6.770
5.079
8.163
7.866
9.844
8.990
6.028
4.202
7.124
7.476
9.367
9.640
NZ
NZ
NZ
CE
CE
CE
C
N
N
CE
CE
CE
NZ
O3'
C3'
OP2
N6
N6
O6
O3'
C3'
OP2
C5
O4
O4
PT
3tu4 2 P62799 100.0 5e-67 X-RAY
2011-11-23 LYS B:31 B:31 107.0 0.535 H -49.7 -44.5 107.0 0.535 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
9.065
6.613
5.507
7.438
8.136
9.759
8.797
6.224
4.308
7.022
7.543
7.697
9.720
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
O6
LYS F:31 F:31 109.0 0.545 H -49.3 -46.3 109.0 0.545 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.745
6.095
4.295
7.190
6.146
7.306
9.972
6.786
5.603
6.171
7.264
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
C2'
C2'
OP2
C7
O6
3ut9 2 P62799 100.0 5e-67 X-RAY
2012-04-11 LYS B:31 B:31 114.0 0.57 H -58.2 -53.9 114.0 0.57 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
HOH
8.859
6.356
4.342
7.589
7.155
9.122
9.690
7.589
5.831
6.740
8.021
2.880
C
N
N
CD
CE
NZ
NZ
NZ
NZ
CE
CE
N
O3'
C3'
OP2
N7
N4
N6
C2'
C5
OP2
C7
O6
O
LYS F:31 F:31 113.0 0.565 H -55.5 -54.7 113.0 0.565 0.0 DA
DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
DC
HOH
9.624
6.556
5.640
6.296
7.781
8.960
5.995
3.957
6.999
6.569
7.916
9.799
2.851
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
C7
O6
O3'
O3'
OP2
N7
N4
N6
N4
O
3uta 2 P62799 100.0 5e-67 X-RAY
2012-04-11 LYS B:31 B:31 104.0 0.52 H -48.5 -49.5 104.0 0.52 0.0 DA
DA
DA
DT
DG
DT
DT
DG
DA
DA
DC
MN
HOH
8.669
6.020
4.260
6.321
7.966
8.466
8.169
5.658
5.042
7.331
7.846
7.546
7.476
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
CD
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
MN
O
LYS F:31 F:31 100.0 0.5 H -59.7 -39.8 100.0 0.5 0.0 DT
DG
DA
DA
DC
DA
DA
DA
DT
DG
DT
MN
HOH
9.700
6.697
5.783
8.146
8.285
8.372
5.944
4.119
6.168
8.189
8.862
8.501
2.869
NZ
NZ
CE
NZ
CE
C
N
N
CD
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N4
O3'
O3'
OP2
C7
O6
O4
MN
O
3utb 2 P62799 100.0 5e-67 X-RAY
2012-04-11 LYS B:31 B:31 105.0 0.525 H -57.8 -48.0 105.0 0.525 0.0 DG
DA
DA
DA
DC
DT
DT
DG
DA
DA
DG
DT
MN
HOH
8.874
6.082
4.203
6.788
6.325
8.068
9.542
6.492
5.607
7.161
7.506
9.880
7.620
2.925
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
N
O3'
C3'
OP2
N7
N4
O4
O3'
C2'
OP2
N6
O6
O4
MN
O
LYS F:31 F:31 121.0 0.605 H -57.3 -51.6 121.0 0.605 0.0 DT
DT
DG
DA
DA
DA
DA
DA
DC
DT
DT
HOH
9.697
7.114
5.001
7.531
8.009
8.966
6.061
4.165
6.921
7.324
8.901
3.149
NZ
NZ
NZ
NZ
NZ
C
N
N
CE
CE
NZ
N
C2'
C3'
OP2
N6
N6
O3'
C3'
OP2
C5
O4
O4
O
3x1s 2 P62805 100.0 5e-67 X-RAY
2015-09-23 LYS B:31 B:31 111.0 0.555 H -52.1 -47.1 111.0 0.555 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
8.887
6.595
4.749
5.843
6.935
8.061
9.959
6.164
5.474
6.997
7.329
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
O3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
LYS F:31 F:31 115.0 0.575 H -60.1 -45.7 115.0 0.575 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
9.883
6.616
5.589
6.838
7.739
9.623
8.794
5.858
4.118
7.001
6.735
8.166
9.854
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
3x1t 3 P62805 100.0 5e-67 X-RAY
2015-09-23 LYS D:31 B:31 109.0 0.545 H -57.4 -48.1 109.0 0.545 0.0 DG
DC
DA
DT
DG
DT
DG
DA
DA
DC
DA
9.084
6.225
4.538
6.139
6.774
8.484
6.478
5.495
7.132
7.543
9.933
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
C2'
OP2
N6
N4
N6
LYS H:31 F:31 116.0 0.58 H -54.8 -49.3 116.0 0.58 0.0 DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
6.655
5.795
6.690
7.230
9.605
8.908
6.067
4.490
6.591
6.520
7.838
9.617
4.487
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
CE
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
O
3x1u 3 P62805 100.0 5e-67 X-RAY
2015-09-23 LYS D:31 B:31 106.0 0.53 H -55.1 -49.7 106.0 0.53 0.0 DG
DC
DA
DT
DG
DT
DG
DA
DA
DC
8.358
5.294
3.643
6.267
7.795
9.333
6.804
5.494
8.148
8.115
N
N
N
CG
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP1
C7
O6
O4
C2'
OP2
N6
N4
LYS H:31 F:31 103.0 0.515 H -55.3 -44.1 103.0 0.515 0.0 DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
7.245
5.674
6.929
6.917
8.733
8.888
6.074
4.273
6.888
6.674
8.341
CE
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
O4
O4
3x1v 3 P62805 100.0 5e-67 X-RAY
2015-09-23 LYS D:31 B:31 104.0 0.52 H -54.8 -49.3 104.0 0.52 0.0 DG
DC
DA
DT
DG
DT
DG
DA
DA
DC
DA
8.984
6.486
4.526
5.898
6.595
8.204
6.234
4.926
6.634
7.012
9.395
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
C2'
OP2
N6
N4
N6
LYS H:31 F:31 107.0 0.535 H -58.5 -47.7 107.0 0.535 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
HOH
9.432
6.623
5.804
7.424
8.121
8.726
5.706
4.310
7.605
7.241
8.593
6.226
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
N
O3'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
O4
O4
O
4h9n 2 P62805 100.0 5e-67 X-RAY
2012-10-10 LYS B:31 B:31 84.0 0.42 H -49.9 -46.5 84.0 0.42 0.0 HOH
2.852
NZ
O
4h9o 2 P62805 100.0 5e-67 X-RAY
2012-10-10 LYS B:31 B:31 105.0 0.525 H -53.4 -48.9 105.0 0.525 0.0 HOH
3.186
N
O
4h9p 2 P62805 100.0 5e-67 X-RAY
2012-10-17 LYS B:31 B:31 111.0 0.555 H -50.4 -46.0 111.0 0.555 0.0 HOH
3.731
N
O
4h9q 2 P62805 100.0 5e-67 X-RAY
2012-10-17 LYS B:31 B:31 98.0 0.49 H -53.4 -47.7 98.0 0.49 0.0 HOH
3.039
N
O
4h9r 2 P62805 100.0 5e-67 X-RAY
2012-10-17 LYS B:31 B:31 112.0 0.56 H -47.1 -46.7 112.0 0.56 0.0 HOH
3.463
N
O
4j8u 2 P62799 100.0 5e-67 X-RAY
2013-04-17 LYS B:31 B:31 106.0 0.53 H -47.4 -50.7 106.0 0.53 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
DA
9.203
6.613
4.573
6.199
7.331
8.187
8.794
5.782
5.013
6.915
7.455
9.957
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CE
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
N6
LYS F:31 F:31 107.0 0.535 H -50.7 -50.5 107.0 0.535 0.0 DT
DG
DA
DA
DC
DA
DG
DC
DA
DT
DG
DT
DT
9.400
6.111
5.373
6.926
7.594
9.824
9.247
6.398
4.650
5.757
7.288
7.931
9.842
NZ
NZ
NZ
NZ
NZ
CE
C
N
N
CD
NZ
NZ
NZ
O3'
C2'
OP2
N6
N4
N6
O3'
O3'
OP2
C7
O6
O4
O4
4j8v 2 P62799 100.0 5e-67 X-RAY
2013-05-08 LYS B:31 B:31 102.0 0.51 H -48.2 -53.3 102.0 0.51 0.0 DT
DG
DA
DA
DC
8.796
5.786
5.020
6.921
7.479
NZ
NZ
NZ
NZ
NZ
O3'
C2'
OP2
N6
N4
LYS F:31 F:31 105.0 0.525 H -52.4 -48.7 NA NA NA
4j8w 2 P62799 100.0 5e-67 X-RAY
2013-04-17 LYS B:31 B:31 105.0 0.525 H -48.6 -53.5 105.0 0.525 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
DA
9.221
6.611
4.687
6.112
7.265
8.140
8.769
5.740
4.931
6.825
7.397
9.999
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CE
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
N6
LYS F:31 F:31 103.0 0.515 H -55.9 -50.9 103.0 0.515 0.0 DT
DG
DA
DA
DC
DG
DC
DA
DT
DG
DT
DT
9.349
6.109
5.378
7.053
7.699
9.329
6.329
4.554
5.975
7.270
7.990
9.840
NZ
NZ
NZ
NZ
NZ
C
N
N
CD
NZ
NZ
NZ
O3'
C2'
OP2
N6
N4
O3'
O3'
OP2
C7
O6
O4
O4
4j8x 2 P62799 100.0 5e-67 X-RAY
2013-05-08 LYS B:31 B:31 107.0 0.535 H -49.2 -55.1 107.0 0.535 0.0 DG
DC
DA
DT
DG
DT
DT
9.229
6.593
4.538
5.925
7.158
7.970
9.986
C
N
N
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
O4
LYS F:31 F:31 105.0 0.525 H -52.0 -51.6 NA NA NA
4r8p 2 P62799 100.0 5e-67 X-RAY
2014-11-05 LYS B:31 B:31 113.0 0.565 H -58.3 -49.0 113.0 0.565 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.837
5.749
3.959
7.145
5.833
8.148
9.983
6.519
5.347
6.331
7.140
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
O3'
C2'
OP2
C7
O6
LYS F:31 F:31 100.0 0.5 H -57.9 -51.1 100.0 0.5 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
9.317
6.004
4.988
7.401
7.229
9.596
8.660
5.766
4.224
7.163
6.976
8.915
NZ
NZ
NZ
CE
CE
CE
C
N
N
CE
CE
CE
O3'
C3'
OP2
O6
N4
O6
O3'
C3'
OP2
N4
O6
N4
4wu8 4 P62799 100.0 5e-67 X-RAY
2015-09-02 LYS D:31 B:31 110.0 0.55 H -43.0 -59.4 110.0 0.55 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
9.063
6.186
4.541
5.942
7.324
8.464
9.079
6.142
5.501
6.795
7.236
C
N
N
CE
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
LYS H:31 F:31 117.0 0.585 H -51.0 -52.1 117.0 0.585 0.0 DG
DA
DA
DC
DA
DG
DC
DA
DT
DG
DT
DT
HOH
6.659
5.500
6.274
6.477
9.032
8.920
6.267
4.460
5.174
6.495
7.684
9.787
2.884
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
OP2
N6
N4
N6
O3'
O3'
OP2
C7
O6
O4
O4
O
4wu9 2 P62799 100.0 5e-67 X-RAY
2015-09-02 LYS B:31 B:31 109.0 0.545 H -44.3 -50.3 109.0 0.545 0.0 DG
DC
DA
DT
DG
DT
DT
DT
DG
DA
DA
DC
9.380
6.244
4.669
6.254
7.338
8.522
9.990
8.663
5.949
5.167
6.871
7.618
C
N
N
CE
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CE
O3'
C3'
OP2
C7
O6
O4
O4
O3'
C2'
OP2
N6
N4
LYS F:31 F:31 105.0 0.525 H -61.0 -49.8 105.0 0.525 0.0 DT
DG
DA
DA
DC
DA
DG
DC
DA
DT
DG
DT
9.972
6.313
5.255
6.710
7.294
9.834
9.042
6.191
4.621
5.700
7.024
7.918
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
C2'
OP2
N6
N4
N6
O3'
O3'
OP2
C7
O6
O4
4xuj 2 P62799 100.0 5e-67 X-RAY
2016-01-27 LYS B:31 B:31 101.0 0.505 H -56.7 -45.0 101.0 0.505 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
9.149
6.410
4.258
6.076
6.915
8.261
8.761
5.786
5.006
6.638
7.557
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
LYS F:31 F:31 110.0 0.55 H -55.3 -44.5 110.0 0.55 0.0 DT
DG
DA
DA
DC
DA
DG
DC
DA
DT
DG
DT
DT
9.821
6.539
5.603
6.383
6.866
9.311
9.073
6.228
4.466
4.869
6.566
7.222
9.602
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
N6
N4
N6
O3'
O3'
OP2
C7
O6
O4
O4
5bnv 2 P62805 100.0 5e-67 X-RAY
2015-06-17 LYS B:31 B:31 95.0 0.475 H -58.5 -41.3 93.0 0.465 0.01 F:P49736:0.01
PO4
HOH
3.962
2.678
CE
N
O2
O
LYS D:31 E:31 110.0 0.55 H -55.5 -46.3 110.0 0.55 0.0 PO4
HOH
5.548
6.250
N
CE
O1
O
5bnx 2 P62805 100.0 5e-67 X-RAY
2015-06-17 LYS B:31 B:31 109.0 0.545 H -57.7 -42.3 101.0 0.505 0.04 C:P49736:0.04
GOL
HOH
4.583
3.128
N
NZ
O1
O
5bo0 2 P62805 100.0 5e-67 X-RAY
2015-06-17 LYS B:31 B:31 106.0 0.53 H -53.6 -51.0 101.0 0.505 0.025 C:P49736:0.025
GOL
4.991
N
O3
5bs7 2 P62799 100.0 5e-67 X-RAY
2015-07-08 LYS C:31 C:31 96.0 0.48 H -44.3 -62.7 96.0 0.48 0.0 HOH
3.610
CD
O
LYS D:31 D:31 99.0 0.495 H -51.6 -44.5 99.0 0.495 0.0 HOH
3.486
N
O
5bsa 2 P62799 100.0 5e-67 X-RAY
2015-07-08 LYS C:31 C:31 91.0 0.455 H -52.3 -36.1 89.0 0.445 0.01 E:Q68D10:0.01
LYS D:31 D:31 78.0 0.39 H -52.0 -34.0 78.0 0.39 0.0
5cp6 4 P62799 100.0 5e-67 X-RAY
2016-06-01 LYS D:31 B:31 112.0 0.56 H -43.5 -50.6 112.0 0.56 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
9.305
6.310
4.477
6.177
7.388
8.448
9.251
6.175
5.482
6.897
7.193
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
LYS H:31 F:31 109.0 0.545 H -50.9 -50.0 109.0 0.545 0.0 DG
DA
DA
DC
DA
DG
DC
DA
DT
DG
DT
DT
HOH
6.760
5.582
6.436
6.676
9.099
9.006
6.188
4.506
5.372
6.590
7.753
9.824
2.950
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
OP2
N6
N4
N6
O3'
O3'
OP2
C7
O6
O4
O4
O
5dnm 2 P62799 100.0 5e-67 X-RAY
2016-09-14 LYS B:31 B:31 109.0 0.545 H -44.2 -52.6 109.0 0.545 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
9.209
6.537
4.431
6.372
7.755
8.303
8.661
5.764
5.013
6.669
7.524
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
LYS F:31 F:31 109.0 0.545 H -46.8 -54.2 109.0 0.545 0.0 DG
DA
DA
DC
DA
DG
DC
DA
DT
DG
DT
DT
6.553
5.511
6.418
6.817
9.292
9.088
6.147
4.755
5.460
6.724
7.684
9.864
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
OP2
N6
N4
N6
O3'
O3'
OP2
C7
O6
O4
O4
5dnn 2 P62799 100.0 5e-67 X-RAY
2016-09-14 LYS B:31 B:31 112.0 0.56 H -45.0 -53.0 112.0 0.56 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
9.176
6.523
4.425
6.457
7.704
8.232
8.619
5.609
4.862
6.549
7.422
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
LYS F:31 F:31 109.0 0.545 H -51.9 -48.3 109.0 0.545 0.0 DG
DA
DA
DC
DA
DG
DC
DA
DT
DG
DT
DT
6.514
5.468
6.400
6.826
9.352
9.132
6.121
4.706
5.462
6.708
7.645
9.803
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
OP2
N6
N4
N6
O3'
O3'
OP2
C7
O6
O4
O4
5gsu 2 P62805 100.0 5e-67 X-RAY
2017-02-15 LYS C:31 B:31 105.0 0.525 H -53.9 -40.0 105.0 0.525 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
9.096
6.355
4.770
6.609
7.388
8.768
9.274
6.429
5.624
7.611
8.871
C
N
N
CD
NZ
NZ
NZ
NZ
CE
NZ
CE
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
LYS D:31 F:31 106.0 0.53 H -53.3 -36.3 106.0 0.53 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
HOH
9.572
6.278
5.561
7.380
7.907
8.858
6.155
4.503
7.475
7.048
8.189
9.790
6.264
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
O3'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
O4
O4
N4
O
5gt0 2 P62805 100.0 5e-67 X-RAY
2017-02-15 LYS C:31 B:31 99.0 0.495 H -51.8 -53.4 99.0 0.495 0.0 DG
DC
DA
DT
DG
DT
DG
DA
DA
DC
8.855
6.282
4.397
6.352
7.200
8.638
6.386
4.985
6.913
7.206
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
C2'
OP2
N6
N4
LYS D:31 F:31 104.0 0.52 H -51.9 -51.1 104.0 0.52 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
9.834
6.452
5.562
6.795
7.349
9.543
9.020
5.969
4.291
6.538
6.164
7.723
9.823
4.412
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
CB
O3'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
O
5gt3 2 P62805 100.0 5e-67 X-RAY
2017-02-15 LYS B:31 B:31 107.0 0.535 H -62.2 -48.2 107.0 0.535 0.0 DG
DC
DA
DT
DG
DT
DG
DA
DA
DC
8.849
6.388
4.652
6.188
6.936
8.426
6.363
5.371
7.238
7.814
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
C2'
OP2
N6
N4
LYS F:31 F:31 113.0 0.565 H -63.1 -46.2 113.0 0.565 0.0 DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
6.787
5.893
7.109
7.632
9.907
8.965
6.148
4.568
6.992
6.595
7.992
9.827
5.500
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
O4
O4
N4
O
5hq2 2 P62799 100.0 5e-67 X-RAY
2016-03-23 LYS B:31 B:31 71.0 NA H -32.1 -53.0 71.0 NA NA DA
DA
DC
DG
DC
DG
DT
8.470
5.853
4.297
8.585
9.999
9.005
9.979
C
N
N
CB
CB
CB
CB
O3'
C3'
OP2
OP2
N4
OP2
C7
5ja4 2 P62805 100.0 5e-67 X-RAY
2016-06-15 LYS B:31 B:31 105.0 0.525 H -57.7 -45.8 105.0 0.525 0.0 GOL
HOH
8.713
5.266
CG
CG
O1
O
5kdm 2 P62805 100.0 5e-67 X-RAY
2016-09-07 LYS B:31 B:31 139.0 0.695 H -67.6 -43.7 139.0 0.695 0.0
5nl0 2 P62799 100.0 5e-67 X-RAY
2017-05-17 LYS B:31 B:31 104.0 0.52 H -58.6 -53.1 104.0 0.52 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
9.151
6.578
4.446
7.691
7.212
9.226
9.395
7.415
5.978
7.078
8.271
C
N
N
CD
CE
NZ
NZ
NZ
CE
CE
CE
O3'
C3'
OP2
N7
N4
N6
C2'
C5
OP2
C7
O6
LYS F:31 F:31 116.0 0.58 H -59.3 -52.7 116.0 0.58 0.0 DA
DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
DC
9.233
6.397
5.717
6.650
8.089
9.256
6.270
4.186
7.258
6.740
7.972
9.676
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C2'
OP2
C7
O6
O3'
O3'
OP2
N7
N4
N6
N4
LYS L:31 L:31 106.0 0.53 H -58.2 -53.3 NA NA NA
5oxv 4 P62799 100.0 5e-67 X-RAY
2017-10-11 LYS D:31 P:31 119.0 0.595 H -45.5 -53.0 119.0 0.595 0.0 DA
DA
DA
DC
DG
DC
DC
DC
DC
DG
DC
8.895
6.160
4.241
7.423
8.018
9.047
9.741
7.295
6.106
7.789
8.563
C
N
N
CD
CE
NZ
NZ
CE
CE
CE
CE
O3'
C3'
OP2
C5
O6
N4
O3'
C2'
OP2
O6
N4
LYS H:31 L:31 113.0 0.565 H -71.4 -38.8 113.0 0.565 0.0 DC
DG
DT
DG
DC
DA
DA
DC
DG
DC
DA
DC
6.855
6.150
6.063
7.341
9.928
8.667
5.644
3.700
6.952
6.437
7.448
9.963
NZ
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
NZ
C2'
OP2
C7
O6
N4
O3'
O3'
OP2
N7
N4
N6
N4
LYS M:31 F:31 114.0 0.57 H -45.6 -52.9 114.0 0.57 0.0 DA
DA
DA
DC
DG
DC
DC
DC
DC
DG
DC
8.895
6.158
4.240
7.423
8.017
9.046
9.741
7.295
6.106
7.789
8.562
C
N
N
CD
CE
NZ
NZ
CE
CE
CE
CE
O3'
C3'
OP2
C5
O6
N4
O3'
C2'
OP2
O6
N4
LYS Q:31 B:31 111.0 0.555 H -71.3 -38.9 111.0 0.555 0.0 DC
DG
DT
DG
DC
DA
DA
DC
DG
DC
DA
DC
6.855
6.150
6.063
7.342
9.928
8.667
5.644
3.701
6.953
6.437
7.449
9.963
NZ
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
NZ
C2'
OP2
C7
O6
N4
O3'
O3'
OP2
N7
N4
N6
N4
5oy7 3 P62799 100.0 5e-67 X-RAY
2017-09-20 LYS C:31 N:31 117.0 0.585 H -45.5 -52.9 117.0 0.585 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
9.741
7.296
6.104
7.788
8.560
8.895
6.159
4.240
7.424
8.017
9.047
NZ
CE
CE
CE
CE
C
N
N
CD
CE
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
LYS G:31 R:31 111.0 0.555 H -71.3 -38.8 111.0 0.555 0.0 DA
DA
DC
DG
DC
DA
DC
DC
DG
DT
DG
DC
8.668
5.644
3.701
6.953
6.436
7.446
9.961
6.853
6.149
6.062
7.342
9.929
N
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
N7
N4
N6
N4
C2'
OP2
C7
O6
N4
LYS I:31 J:31 113.0 0.565 H -71.4 -38.7 113.0 0.565 0.0 DA
DA
DC
DG
DC
DA
DC
DC
DG
DT
DG
DC
8.667
5.645
3.702
6.951
6.436
7.448
9.963
6.854
6.149
6.061
7.342
9.928
N
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
N7
N4
N6
N4
C2'
OP2
C7
O6
N4
LYS K:31 B:31 111.0 0.555 H -71.3 -38.8 111.0 0.555 0.0 DA
DA
DC
DG
DC
DA
DC
DC
DG
DT
DG
DC
8.668
5.646
3.702
6.953
6.439
7.449
9.963
6.853
6.150
6.064
7.344
9.928
N
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
N7
N4
N6
N4
C2'
OP2
C7
O6
N4
LYS O:31 F:31 116.0 0.58 H -45.5 -53.1 116.0 0.58 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
9.743
7.297
6.106
7.789
8.562
8.892
6.158
4.240
7.423
8.019
9.048
NZ
CE
CE
CE
CE
C
N
N
CD
CE
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
LYS V:31 V:31 117.0 0.585 H -45.4 -53.0 117.0 0.585 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
9.743
7.295
6.105
7.787
8.561
8.895
6.160
4.240
7.422
8.017
9.047
NZ
CE
CE
CE
CE
C
N
N
CD
CE
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
LYS Z:31 Z:31 111.0 0.555 H -71.4 -38.7 111.0 0.555 0.0 DA
DA
DC
DG
DC
DA
DC
DC
DG
DT
DG
DC
8.667
5.644
3.701
6.953
6.439
7.449
9.964
6.855
6.149
6.063
7.342
9.929
N
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
N7
N4
N6
N4
C2'
OP2
C7
O6
N4
LYS DA:31 d:31 115.0 0.575 H -45.5 -53.0 115.0 0.575 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
9.743
7.296
6.105
7.789
8.562
8.894
6.158
4.240
7.423
8.018
9.047
NZ
CE
CE
CE
CE
C
N
N
CD
CE
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
5x0y 2 P62799 100.0 5e-67 EM
2017-04-19 LYS B:31 B:31 97.0 0.485 H -39.8 -49.5 97.0 0.485 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
9.457
7.357
5.998
7.832
7.878
9.159
8.688
5.773
4.376
7.138
8.010
8.224
CE
CE
NZ
NZ
NZ
NZ
C
N
CB
NZ
NZ
NZ
O3'
OP2
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
LYS F:31 F:31 109.0 0.545 H -44.6 -56.7 109.0 0.545 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
8.663
6.013
4.209
5.556
6.104
8.740
9.339
7.763
7.353
7.779
8.825
C
N
CE
NZ
NZ
NZ
CD
CD
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
C2'
OP2
C7
O6
N4
5xf6 2 P62799 100.0 5e-67 X-RAY
2017-10-11 LYS B:31 B:31 106.0 0.53 H -47.6 -47.8 106.0 0.53 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
9.226
6.576
4.436
6.419
7.927
8.367
8.599
5.792
5.063
6.817
7.723
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
LYS F:31 F:31 113.0 0.565 H -45.2 -49.6 113.0 0.565 0.0 DG
DA
DA
DC
DA
DG
DC
DA
DT
DG
DT
DT
HOH
6.500
5.485
6.325
6.787
9.298
9.115
6.221
4.671
5.471
6.666
7.604
9.715
2.811
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
OP2
N6
N4
N6
O3'
O3'
OP2
C7
O6
O4
O4
O
5z3l 2 P62799 100.0 5e-67 EM
2019-04-03 LYS B:31 B:31 112.0 0.56 H -65.5 -51.8 112.0 0.56 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
8.692
6.081
5.335
7.541
8.564
9.549
8.233
5.278
3.314
6.966
8.169
8.648
NZ
NZ
NZ
CE
CE
CE
C
N
N
CD
CE
CE
O3'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
LYS F:31 F:31 137.0 0.685 H -60.3 -33.8 137.0 0.685 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
8.254
5.426
3.355
4.756
6.995
9.159
8.183
7.419
8.156
8.288
9.715
C
N
NZ
NZ
CE
CE
CD
CD
CE
CE
CE
O3'
C3'
OP2
OP2
N4
N6
C2'
OP2
C7
O6
N4
5z3o 2 P62799 100.0 5e-67 EM
2019-04-03 LYS B:31 B:31 113.0 0.565 H -67.0 -51.7 113.0 0.565 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
9.155
6.590
5.656
7.708
8.158
9.638
8.444
5.239
3.849
7.193
7.886
8.479
NZ
NZ
NZ
CE
CE
CE
C
N
CB
CD
CE
CE
O3'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
LYS F:31 F:31 131.0 0.655 H -59.1 -32.7 131.0 0.655 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
8.604
5.606
3.293
4.009
6.937
9.499
8.822
7.827
8.408
8.471
9.454
C
N
NZ
NZ
CE
CE
CD
CD
CE
CE
CE
O3'
C3'
OP2
OP2
N4
N6
C3'
OP2
C7
O6
N4
5z3u 3 P62799 100.0 5e-67 EM
2019-05-22 LYS C:31 B:31 104.0 0.52 H -56.3 -61.6 104.0 0.52 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
8.690
6.312
5.206
7.884
8.130
9.506
8.846
5.977
4.164
7.209
7.423
8.588
NZ
NZ
NZ
CE
CE
CE
C
N
N
CE
CE
CE
O3'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
LYS G:31 F:31 115.0 0.575 H -42.4 -45.1 115.0 0.575 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
8.819
6.130
4.742
6.393
6.226
7.891
8.161
6.982
7.124
7.761
9.639
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
C2'
OP2
C7
O6
N4
5z3v 3 P62799 100.0 5e-67 EM
2019-05-22 LYS C:31 B:31 125.0 0.625 H -46.7 -46.2 125.0 0.625 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
8.794
6.829
5.958
7.867
8.721
8.694
5.738
4.194
7.491
7.805
7.996
9.961
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
O6
LYS G:31 F:31 122.0 0.61 H -45.6 -45.3 122.0 0.61 0.0 DA
DA
DC
DG
DC
DA
DC
DA
DC
DG
DT
DG
8.610
5.863
4.418
7.551
6.790
8.251
9.980
9.511
6.851
5.850
6.909
8.153
C
N
CB
CD
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
N4
O3'
C2'
OP2
C7
O6
6esf 2 P62799 100.0 5e-67 EM
2017-12-20 LYS B:31 B:31 106.0 0.53 H -54.6 -46.8 106.0 0.53 0.0 DA
DA
DA
DC
DG
DC
DC
DC
DC
DG
DC
8.910
5.764
3.974
7.784
8.323
8.731
9.274
6.010
4.749
7.490
7.980
C
N
N
CD
NZ
NZ
CE
NZ
NZ
NZ
NZ
O3'
O3'
OP2
OP2
O6
N4
O3'
C2'
OP2
N7
N4
LYS F:31 F:31 118.0 0.59 H -56.9 -39.5 118.0 0.59 0.0 DA
DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
9.373
7.393
6.992
8.112
8.804
9.073
5.953
4.178
6.716
7.467
8.653
NZ
NZ
CD
NZ
NZ
N
N
N
NZ
NZ
NZ
O3'
OP2
OP2
O4
O6
O3'
O3'
OP2
OP2
N4
N6
6esg 2 P62799 100.0 5e-67 EM
2017-12-20 LYS B:31 B:31 101.0 0.505 H -63.0 -46.8 101.0 0.505 0.0 DA
DA
DA
DC
DC
DC
DC
9.108
5.888
3.619
7.623
8.220
5.915
7.342
N
N
N
CD
NZ
NZ
NZ
O3'
O3'
OP1
OP2
O3'
OP2
OP2
LYS F:31 F:31 117.0 0.585 H -56.2 -40.4 117.0 0.585 0.0 DC
DG
DT
DG
DA
DA
DC
DG
DC
8.548
7.531
9.150
9.680
8.589
6.510
4.881
6.457
7.847
NZ
CG
CE
NZ
N
C
N
NZ
NZ
OP2
OP2
C7
O6
O3'
OP2
OP2
OP2
N4
6esh 2 P62799 100.0 5e-67 EM
2017-12-20 LYS B:31 B:31 106.0 0.53 H -51.0 -52.6 106.0 0.53 0.0 DA
DA
DA
DC
DG
DC
DC
DC
DC
DG
DC
8.859
5.829
4.175
7.339
7.984
9.177
8.216
6.002
6.373
8.813
8.806
C
N
N
CD
CE
CE
NZ
NZ
CE
CE
CE
O3'
C3'
OP2
C5
O6
N4
O3'
OP2
OP2
O6
N4
LYS F:31 F:31 107.0 0.535 H -53.7 -42.2 107.0 0.535 0.0 DA
DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
9.999
7.642
5.590
7.093
9.321
8.679
6.319
5.398
6.723
7.821
9.166
NZ
NZ
CD
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
C2'
OP2
C7
O6
O3'
C3'
OP2
OP2
N4
N6
6esi 2 P62799 100.0 5e-67 EM
2017-12-20 LYS B:31 B:31 86.0 0.43 H -61.3 -43.8 86.0 0.43 0.0 DA
DA
DA
DC
DC
DC
DG
6.717
4.365
5.461
9.865
8.961
6.792
9.195
C
N
CE
NZ
NZ
NZ
O
O3'
OP2
OP2
OP2
C3'
OP2
OP2
LYS F:31 F:31 103.0 0.515 H -61.1 -44.3 103.0 0.515 0.0 DA
DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
DG
7.850
4.238
2.397
5.944
9.010
8.426
5.765
4.268
7.466
7.979
9.001
9.996
CE
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
C7
O6
O3'
C3'
OP2
N7
N4
N6
N2
6fml 10 P62805 100.0 5e-67 EM
2018-04-25 LYS N:31 N:31 113.0 0.565 H -58.3 -48.9 113.0 0.565 0.0 DA
DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
9.698
6.448
5.402
6.388
7.504
8.857
5.810
3.908
7.412
6.187
8.159
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
C2'
OP2
C7
O6
O3'
C3'
OP2
N7
N4
N6
LYS R:31 R:31 100.0 0.5 H -58.1 -51.0 100.0 0.5 0.0 DA
DA
DA
DC
DG
DC
DC
DC
DC
DG
DC
DG
8.654
5.739
4.166
7.373
7.222
8.814
9.349
6.171
5.193
7.619
7.426
9.579
C
N
N
CD
CE
CE
NZ
NZ
NZ
CE
CE
CE
O3'
C3'
OP2
C5
O6
N4
O3'
C3'
OP2
O6
N4
O6
6iro 3 P62799 100.0 5e-67 EM
2019-04-03 LYS C:31 B:31 101.0 0.505 H -58.6 -41.9 101.0 0.505 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
7.432
5.950
8.091
8.146
9.738
8.973
6.042
4.504
7.385
7.903
9.067
CE
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
LYS G:31 F:31 120.0 0.6 H -70.7 -27.5 120.0 0.6 0.0 DA
DA
DC
DG
DC
DC
DG
DT
DG
8.943
6.120
3.869
5.400
8.024
9.346
8.432
8.827
9.142
C
N
NZ
NZ
CE
CE
CD
CE
CE
O3'
C3'
OP2
OP2
N4
C2'
OP2
C7
O6
6jyl 2 P62799 100.0 5e-67 EM
2019-05-29 LYS B:31 B:31 96.0 0.48 H -66.2 -43.7 96.0 0.48 0.0 DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
7.104
5.954
8.419
8.362
8.629
5.773
4.452
7.918
8.385
8.909
NZ
CE
NZ
CE
C
N
CB
NZ
NZ
NZ
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
LYS F:31 F:31 110.0 0.55 H -66.6 -45.3 110.0 0.55 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
8.754
5.863
4.481
6.561
6.357
7.906
7.950
7.065
6.971
7.527
9.826
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
C2'
OP2
C7
O6
N4
6k1p 2 P62799 100.0 5e-67 EM
2019-05-29 LYS B:31 B:31 107.0 0.535 H -63.3 -44.7 107.0 0.535 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
9.659
7.140
6.029
7.678
8.433
9.723
8.758
5.548
4.456
7.396
7.933
9.212
NZ
NZ
NZ
NZ
NZ
NZ
C
N
CB
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
LYS F:31 F:31 111.0 0.555 H -70.8 -44.3 111.0 0.555 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.748
5.706
4.564
7.705
7.066
8.302
9.649
6.824
6.033
7.089
8.159
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
O3'
C2'
OP2
C7
O6
6kiu 2 P62799 100.0 5e-67 EM
2019-09-11 LYS B:31 B:31 120.0 0.6 T -122.4 32.6 120.0 0.6 0.0 DA
DA
DC
DG
DC
DC
DG
DT
8.680
5.935
4.485
6.175
9.121
9.461
8.937
9.470
C
N
N
NZ
NZ
NZ
O
O
O3'
C3'
OP2
OP2
N4
OP2
OP2
C7
LYS F:31 F:31 119.0 0.595 H -69.1 -39.6 119.0 0.595 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
9.480
7.423
6.706
8.090
8.898
8.960
6.163
4.416
7.551
8.037
8.425
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
6kiv 2 P62799 100.0 5e-67 EM
2019-09-11 LYS B:31 B:31 126.0 0.63 T -123.3 36.4 126.0 0.63 0.0 DA
DA
DC
DG
DC
DG
DT
8.678
5.247
3.605
5.161
8.809
9.232
9.406
N
N
N
NZ
NZ
O
O
O3'
O3'
OP2
OP2
N4
OP2
C7
LYS F:31 F:31 126.0 0.63 H -79.5 -43.6 126.0 0.63 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
9.502
7.434
7.103
8.223
8.200
8.868
5.413
3.795
7.024
7.627
8.676
9.864
NZ
NZ
CE
NZ
NZ
C
N
CB
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O3'
O3'
OP2
C5
O6
N4
O6
6kiw 2 P62799 100.0 5e-67 EM
2019-09-11 LYS B:31 B:31 117.0 0.585 H -80.3 -42.1 117.0 0.585 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
9.209
6.030
4.040
5.723
7.768
9.683
9.506
8.503
8.436
8.940
9.767
C
N
NZ
NZ
NZ
CE
CD
CE
CE
CE
NZ
O3'
C3'
OP2
OP2
N4
N6
OP2
OP2
C7
O6
N4
LYS F:31 F:31 128.0 0.64 H -68.6 -40.6 128.0 0.64 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
9.714
7.421
6.554
8.101
8.458
8.725
6.009
4.238
6.867
7.481
8.414
9.630
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
O6
6kix 2 P62799 100.0 5e-67 EM
2019-09-11 LYS B:31 B:31 109.0 0.545 T -132.9 34.9 109.0 0.545 0.0 DA
DA
DC
DG
DC
DC
DG
DT
DG
8.606
5.952
4.339
6.621
8.226
9.128
8.082
9.175
9.706
C
N
N
CE
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
OP2
N4
C2'
OP2
C7
O6
LYS F:31 F:31 123.0 0.615 H -68.1 -41.2 123.0 0.615 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
9.602
7.545
6.815
8.512
9.492
9.311
6.724
4.662
7.785
8.475
8.958
9.958
NZ
NZ
CE
NZ
NZ
C
N
N
CD
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O3'
O3'
OP2
OP2
O6
N4
O6
6kiz 2 P62799 100.0 5e-67 EM
2019-09-11 LYS B:31 B:31 97.0 0.485 H -67.7 -49.8 97.0 0.485 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
9.783
6.486
5.000
6.861
7.992
9.823
8.445
6.903
7.620
8.915
N
N
N
CE
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
C2'
OP2
C7
O6
LYS F:31 F:31 121.0 0.605 H -80.1 -41.7 121.0 0.605 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
8.991
7.886
8.499
8.692
9.941
9.342
6.623
4.781
6.382
7.641
8.605
NZ
CD
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
6nj9 2 P62799 100.0 5e-67 EM
2019-02-20 LYS B:31 B:31 103.0 0.515 H -67.6 -41.0 103.0 0.515 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
9.454
7.029
6.107
7.564
8.451
8.828
6.174
4.510
7.504
7.724
8.770
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
LYS F:31 F:31 102.0 0.51 H -67.7 -41.1 102.0 0.51 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.839
6.126
4.561
7.687
7.165
8.612
9.445
7.105
6.115
7.119
8.315
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
O3'
C2'
OP2
C7
O6
6nn6 2 P62799 100.0 5e-67 EM
2019-02-13 LYS B:31 B:31 115.0 0.575 H -75.0 -38.9 115.0 0.575 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
9.515
5.973
4.344
6.379
6.954
8.909
8.709
7.979
8.415
8.594
N
N
N
NZ
NZ
NZ
NZ
CD
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
C2'
OP2
C7
O6
LYS F:31 F:31 123.0 0.615 S -82.6 -45.5 123.0 0.615 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
9.984
7.264
6.764
7.820
8.517
9.958
9.119
6.141
4.185
7.315
7.575
7.613
9.317
NZ
NZ
CE
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
NZ
C2'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
O6
6nog 2 P62799 100.0 5e-67 EM
2019-02-20 LYS C:31 B:31 101.0 0.505 H -67.1 -47.8 101.0 0.505 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
9.331
7.065
5.967
6.152
7.717
9.945
9.320
6.356
4.368
6.951
7.237
8.076
9.769
NZ
NZ
CE
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
O6
LYS D:31 F:31 109.0 0.545 H -64.0 -46.1 109.0 0.545 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
9.330
6.102
4.687
6.984
6.388
8.312
7.387
6.129
6.738
7.575
N
N
N
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
C2'
OP2
C7
O6
6nqa 3 P62799 100.0 5e-67 EM
2019-02-20 LYS C:31 F:31 106.0 0.53 H -74.4 -47.9 106.0 0.53 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
8.064
6.879
7.718
8.304
9.892
8.893
5.897
4.262
6.350
7.081
8.387
NZ
CE
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
LYS L:31 B:31 107.0 0.535 H -72.9 -53.9 107.0 0.535 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
9.012
5.630
4.609
6.343
5.886
8.197
7.748
6.635
6.936
7.328
9.350
N
N
N
NZ
NZ
NZ
NZ
CE
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
C2'
OP2
C7
O6
N4
6r1u 2 P62799 100.0 5e-67 EM
2019-04-24 LYS B:31 B:31 106.0 0.53 H -54.6 -46.8 106.0 0.53 0.0 DA
DA
DA
DC
DG
DC
DC
DC
DC
DG
DC
8.909
5.766
3.975
7.782
8.323
8.731
9.274
6.011
4.750
7.491
7.980
C
N
N
CD
NZ
NZ
CE
NZ
NZ
NZ
NZ
O3'
O3'
OP2
OP2
O6
N4
O3'
C2'
OP2
N7
N4
LYS F:31 F:31 119.0 0.595 H -56.8 -39.5 119.0 0.595 0.0 DA
DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
9.373
7.393
6.992
8.112
8.804
9.073
5.954
4.178
6.716
7.469
8.654
NZ
NZ
CD
NZ
NZ
N
N
N
NZ
NZ
NZ
O3'
OP2
OP2
O4
O6
O3'
O3'
OP2
OP2
N4
N6
6r25 5 ? 100.0 5e-67 EM
2019-04-24 LYS E:31 B:31 105.0 0.525 H -54.6 -46.7 105.0 0.525 0.0 DA
DA
DA
DC
DG
DC
DC
DC
DC
DG
DC
8.909
5.766
3.975
7.783
8.324
8.731
9.274
6.011
4.749
7.491
7.981
C
N
N
CD
NZ
NZ
CE
NZ
NZ
NZ
NZ
O3'
O3'
OP2
OP2
O6
N4
O3'
C2'
OP2
N7
N4
LYS I:31 F:31 120.0 0.6 H -56.9 -39.4 120.0 0.6 0.0 DA
DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
9.374
7.393
6.992
8.112
8.804
9.072
5.954
4.178
6.716
7.468
8.654
NZ
NZ
CD
NZ
NZ
N
N
N
NZ
NZ
NZ
O3'
OP2
OP2
O4
O6
O3'
O3'
OP2
OP2
N4
N6
6s01 2 P62799 100.0 5e-67 EM
2019-12-18 LYS B:31 B:31 109.0 0.545 H -66.1 -40.6 109.0 0.545 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
8.829
5.807
4.174
6.880
6.961
7.924
7.884
6.347
7.383
7.979
C
N
N
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
OP2
OP2
C7
O6
LYS F:31 F:31 107.0 0.535 H -63.8 -40.8 107.0 0.535 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
9.379
6.781
5.929
7.657
8.515
8.783
5.870
4.267
7.458
7.577
8.286
9.848
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
O6
6t9l 2 P62799 100.0 5e-67 EM
2020-01-29 LYS B:31 B:31 112.0 0.56 H -57.4 -46.3 112.0 0.56 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.626
5.668
4.040
7.765
7.171
8.558
9.845
7.134
6.426
6.834
8.170
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
C2'
C2'
OP2
C7
O6
LYS F:31 F:31 117.0 0.585 H -63.9 -46.8 117.0 0.585 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
8.823
5.582
5.286
7.827
8.414
8.691
6.241
4.298
7.880
7.899
8.585
9.250
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
O6
6tda 2 P62799 100.0 5e-67 EM
2020-03-18 LYS B:31 B:31 88.0 0.44 H -62.4 -45.8 88.0 0.44 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
8.929
6.049
4.335
8.230
8.143
9.457
8.632
5.774
4.440
7.488
8.098
9.518
NZ
NZ
NZ
NZ
CE
CE
C
N
N
CE
CE
CE
O3'
C2'
OP2
N7
N4
O6
O3'
C3'
OP2
N4
O6
N4
LYS F:31 F:31 106.0 0.53 H -56.6 -44.0 106.0 0.53 0.0 DA
DA
DC
DG
DC
DA
DC
DA
DC
DG
DT
DG
DC
8.650
5.840
4.476
7.315
6.237
7.657
9.833
9.765
6.713
5.380
5.955
7.323
9.131
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
N4
O3'
C2'
OP2
C7
O6
N4
6ugm 2 P62799 100.0 5e-67 EM
2019-11-20 LYS B:31 B:31 110.0 0.55 H -52.6 -30.8 110.0 0.55 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
9.856
8.044
6.786
7.648
7.345
9.550
8.979
5.941
4.701
6.670
7.261
8.387
CE
CE
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
OP2
OP2
O6
N4
O6
O3'
C3'
OP1
C5
O6
N4
LYS F:31 F:31 119.0 0.595 H -54.5 -35.3 119.0 0.595 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
DC
8.745
5.921
4.949
6.437
6.503
8.251
9.862
7.953
6.682
6.500
7.363
9.139
C
N
CB
NZ
NZ
NZ
CE
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
O3'
C2'
OP2
C7
O6
N4
6uh5 2 P62799 100.0 5e-67 EM
2019-11-20 LYS B:31 B:31 100.0 0.5 H -54.8 -36.5 100.0 0.5 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
9.871
7.299
5.817
7.545
7.546
9.671
8.826
5.859
4.236
6.926
7.549
8.074
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
CE
NZ
NZ
O3'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
LYS F:31 F:31 101.0 0.505 H -56.5 -37.9 101.0 0.505 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
DC
9.167
6.243
4.543
7.271
7.408
8.901
9.439
7.465
5.756
6.521
7.764
9.407
C
N
N
CD
NZ
NZ
CE
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
O3'
C2'
OP2
C7
O6
N4
6uxw 2 P62799 100.0 5e-67 EM
2020-03-18 LYS B:31 S:31 120.0 0.6 H -46.7 -46.3 120.0 0.6 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
8.795
6.830
5.958
7.866
8.721
8.694
5.738
4.194
7.490
7.805
7.997
9.962
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
O6
LYS F:31 W:31 123.0 0.615 H -45.7 -45.3 123.0 0.615 0.0 DA
DA
DC
DG
DC
DA
DC
DA
DC
DG
DT
DG
8.609
5.862
4.419
7.552
6.790
8.252
9.980
9.510
6.849
5.849
6.908
8.154
C
N
CB
CD
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
N4
O3'
C2'
OP2
C7
O6
6ven 2 P62799 100.0 5e-67 EM
2020-01-15 LYS B:31 B:31 97.0 0.485 H -72.4 -45.8 97.0 0.485 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
8.522
6.413
5.492
7.673
8.496
8.745
5.992
4.160
7.949
8.085
8.175
9.983
NZ
NZ
NZ
NZ
CE
C
N
N
CE
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
O6
LYS F:31 F:31 111.0 0.555 H -74.7 -46.7 111.0 0.555 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
8.688
5.932
4.549
6.242
6.124
7.891
8.748
6.916
6.957
7.414
9.435
C
N
N
NZ
NZ
NZ
NZ
CD
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
C2'
OP2
C7
O6
N4
6vyp 2 P62799 100.0 5e-67 X-RAY
2020-05-27 LYS B:31 B:31 135.0 0.675 T -88.9 -52.4 118.0 0.59 0.085 T:Q9UKL0:0.085
DA
DA
DC
DG
DC
DG
8.783
5.444
3.182
4.764
9.588
9.445
C
CB
CD
CE
CD
O
O3'
O3'
OP2
OP2
N4
OP2
LYS F:31 F:31 151.0 0.755 T 47.8 -93.3 151.0 0.755 0.0 DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
8.366
8.530
8.167
8.796
8.242
4.893
2.992
3.580
6.871
8.795
O
CE
CE
CE
C
CB
CB
NZ
CE
CE
OP2
O6
N4
O6
O3'
C3'
OP2
OP2
N7
N4
LYS L:31 b:31 111.0 0.555 H -61.5 -49.7 NA NA NA
LYS P:31 f:31 141.0 0.705 H -74.1 -25.8 NA NA NA
6wz5 2 P62799 100.0 5e-67 EM
2020-09-16 LYS B:31 B:31 100.0 0.5 H -56.6 -44.9 100.0 0.5 0.0 DA
DA
DA
DC
DG
DC
DC
DC
DC
DG
DC
DG
8.708
5.985
4.266
7.376
7.211
8.305
9.446
6.712
5.094
7.146
7.160
9.538
C
N
N
NZ
NZ
NZ
CE
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C5
O6
N4
O3'
C2'
OP2
O6
N4
O6
LYS F:31 F:31 106.0 0.53 H -59.0 -44.7 106.0 0.53 0.0 DA
DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
DC
8.683
6.472
5.715
6.760
7.887
8.680
6.202
4.384
7.550
6.739
7.825
9.985
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
C7
O6
O3'
C3'
OP2
N7
N4
N6
N4
6wz9 2 P62799 100.0 5e-67 EM
2020-09-16 LYS B:31 B:31 110.0 0.55 H -56.5 -44.2 110.0 0.55 0.0 DA
DA
DA
DC
DG
DC
DG
DC
DC
DC
DG
DC
8.659
5.882
4.141
7.397
7.678
8.112
9.839
8.724
6.538
5.838
7.751
8.306
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
C5
O6
N4
O6
O3'
C2'
OP2
O6
N4
LYS F:31 F:31 98.0 0.49 H -57.8 -44.5 98.0 0.49 0.0 DA
DC
DG
DT
DG
DC
DA
DA
DC
DG
DC
DA
9.478
6.986
5.380
5.893
7.296
9.160
8.523
6.056
4.394
7.670
7.068
8.614
CE
CE
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
C2'
OP2
C7
O6
N4
O3'
C3'
OP2
N7
N4
N6
6x0n 2 P62799 100.0 5e-67 EM
2020-09-16 LYS B:31 B:31 94.0 0.47 H -57.4 -44.9 94.0 0.47 0.0 DA
DA
DA
DC
DG
DC
DC
DC
DC
DG
DC
DG
8.972
6.183
4.569
8.202
7.960
8.626
9.138
6.682
5.326
8.093
7.924
9.513
C
N
N
NZ
NZ
NZ
CE
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C5
O6
N4
O3'
C2'
OP2
O6
N4
O6
LYS F:31 F:31 95.0 0.475 H -59.1 -44.4 95.0 0.475 0.0 DA
DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
8.409
6.170
6.391
8.190
9.401
9.350
7.210
5.902
9.125
8.401
9.194
NZ
NZ
NZ
NZ
NZ
C
C
N
NZ
NZ
NZ
O3'
OP2
OP2
C7
O6
O3'
OP2
OP2
N7
N4
N6
LYS L:31 b:31 128.0 0.64 H -57.0 -43.4 128.0 0.64 0.0 DA
DA
DA
DC
DG
DC
DC
DC
DG
8.529
5.067
2.879
4.333
8.260
9.928
9.564
9.840
9.794
C
NZ
NZ
NZ
CE
CE
O
CE
CE
O3'
O3'
OP2
OP2
N7
N4
OP2
N4
O6
LYS P:31 f:31 90.0 0.45 H -58.5 -44.4 90.0 0.45 0.0 DA
DC
DG
DT
DG
DC
DA
DA
DC
DG
DC
DA
9.187
6.933
5.249
6.500
7.974
9.369
8.762
6.381
4.828
8.219
7.457
8.675
CE
NZ
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
O3'
C2'
OP2
C7
O6
N4
O3'
C3'
OP2
N7
N4
N6
6x59 2 P62805 100.0 5e-67 EM
2020-09-16 LYS B:31 B:31 109.0 0.545 H -79.0 -40.7 109.0 0.545 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.846
6.036
4.870
7.393
6.866
8.094
9.864
7.215
6.142
7.052
8.068
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
O3'
C2'
OP2
C7
O6
LYS F:31 F:31 110.0 0.55 H -65.0 -42.8 110.0 0.55 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
9.379
7.248
6.348
7.688
8.385
9.782
8.739
6.043
5.073
7.109
7.653
8.052
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
6x5a 2 P62805 100.0 5e-67 EM
2020-09-16 LYS B:31 B:31 109.0 0.545 H -80.0 -41.0 109.0 0.545 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
DC
8.249
5.767
4.970
7.057
6.537
7.860
9.960
7.014
5.987
6.524
7.642
9.804
N
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
O3'
C2'
OP2
C7
O6
N4
LYS F:31 F:31 103.0 0.515 H -64.4 -42.2 103.0 0.515 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
8.363
6.143
5.564
7.327
8.375
8.401
5.952
5.120
7.634
7.678
7.870
9.788
NZ
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
O6
6xjd 2 P62805 100.0 5e-67 EM
2020-09-16 LYS B:31 B:31 107.0 0.535 H -46.0 -47.4 107.0 0.535 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
7.808
5.381
4.037
5.829
6.618
8.645
7.752
7.359
7.667
7.594
8.927
C
N
N
NZ
NZ
NZ
CD
CD
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
OP2
OP2
C7
O6
N4
LYS F:31 F:31 102.0 0.51 H -49.1 -47.3 102.0 0.51 0.0 DC
DC
DC
DG
DA
DA
DA
DC
DG
DC
DG
7.721
6.657
7.109
8.863
8.629
5.679
3.557
7.704
9.201
8.563
9.829
NZ
NZ
NZ
NZ
C
N
N
CD
NZ
NZ
NZ
O3'
C6
C5
O6
O3'
O3'
OP1
OP2
O6
N4
O6
7a08 7 P62805 100.0 5e-67 EM
2020-09-23 LYS G:31 e:31 104.0 0.52 H -50.8 -44.9 104.0 0.52 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
8.738
5.750
4.219
7.538
7.562
8.668
7.586
5.963
6.350
7.882
9.978
C
N
N
CE
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
C2'
OP2
C7
O6
N4
LYS K:31 i:31 103.0 0.515 H -79.2 -44.9 103.0 0.515 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
9.002
6.516
5.756
7.029
7.537
9.198
8.867
5.807
4.334
6.865
7.467
7.189
9.549
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
O6
7at8 4 P62799 100.0 5e-67 EM
2020-12-09 LYS D:31 E:31 115.0 0.575 H -57.4 -47.2 115.0 0.575 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.305
5.483
3.935
6.904
6.650
8.411
9.779
7.388
6.622
7.022
7.851
C
N
CB
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
O3'
OP2
N7
N4
N6
C2'
C2'
OP2
C7
O6
LYS H:31 I:31 120.0 0.6 H -57.1 -46.4 120.0 0.6 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
8.568
5.999
6.025
8.286
9.087
8.971
6.340
4.319
7.596
8.191
8.590
9.274
NZ
NZ
CE
NZ
NZ
C
N
N
CD
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O3'
O3'
OP2
OP2
O6
N4
O6
7bwd 2 P62805 100.0 5e-67 EM
2021-04-14 LYS B:31 F:31 103.0 0.515 H -56.1 -38.9 103.0 0.515 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
9.719
6.320
4.978
7.262
8.246
9.194
7.486
6.012
7.413
8.290
9.615
C
N
CB
CD
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
C2'
OP2
C7
O6
N4
LYS I:31 B:31 113.0 0.565 H -56.0 -37.5 113.0 0.565 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
8.698
7.333
9.030
8.777
9.628
9.470
6.776
4.337
6.463
7.299
8.756
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
7ciz 2 P62805 100.0 5e-67 X-RAY
2021-04-14 LYS B:31 B:31 102.0 0.51 H -59.4 -44.3 101.0 0.505 0.005 C:P49736:0.005
SO4
SO4
HOH
5.825
2.384
2.915
N
NZ
N
O4
O3
O
LYS E:31 F:31 127.0 0.635 H -55.4 -42.5 NA NA NA
LYS H:31 J:31 122.0 0.61 H -58.4 -45.0 NA NA NA
7cj0 2 P62805 100.0 5e-67 X-RAY
2021-04-14 LYS B:31 F:31 94.0 0.47 H -66.5 -43.9 94.0 0.47 0.0 HOH
5.702
NZ
O
LYS F:31 C:31 85.0 0.425 H -57.9 -39.0 NA NA NA
7cro 2 P62799 100.0 5e-67 EM
2020-10-21 LYS B:31 B:31 102.0 0.51 H -74.0 -52.5 102.0 0.51 0.0 DC
DC
DG
DC
DA
DA
DA
DC
DG
7.857
6.232
7.782
8.626
9.200
6.317
4.668
7.645
8.530
NZ
NZ
NZ
NZ
N
N
N
CE
NZ
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
LYS F:31 F:31 99.0 0.495 H -76.9 -54.1 99.0 0.495 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
9.143
6.216
4.774
7.770
8.285
9.861
7.712
6.441
7.727
9.069
C
N
N
CE
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
C2'
OP2
C7
O6
7crp 2 P62799 100.0 5e-67 EM
2020-10-21 LYS B:31 B:31 102.0 0.51 S -78.6 -44.1 102.0 0.51 0.0 DC
DC
DG
DC
DA
DA
DA
DC
DG
7.991
6.325
8.193
9.172
9.183
6.391
4.855
7.713
8.578
NZ
NZ
NZ
NZ
C
N
N
CE
NZ
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
LYS F:31 F:31 97.0 0.485 H -73.1 -30.9 97.0 0.485 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
9.218
6.510
4.866
8.207
8.460
9.987
8.344
6.552
7.632
9.005
C
N
CG
CD
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
C2'
OP2
C7
O6
7crq 2 P62799 100.0 5e-67 EM
2020-10-21 LYS B:31 B:31 104.0 0.52 S -79.6 -45.6 104.0 0.52 0.0 DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
7.704
6.104
8.134
8.621
9.147
6.312
4.726
7.564
8.431
9.272
NZ
NZ
NZ
NZ
N
N
N
CE
NZ
NZ
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
LYS F:31 F:31 106.0 0.53 H -78.7 -43.2 106.0 0.53 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
9.187
6.440
4.900
8.107
7.706
9.237
8.092
6.367
6.799
8.303
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
C2'
OP2
C7
O6
7crr 2 P62799 100.0 5e-67 EM
2020-10-21 LYS B:31 B:31 100.0 0.5 H -77.8 -49.9 100.0 0.5 0.0 DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
7.508
5.886
7.773
9.207
8.937
5.931
4.319
7.294
8.197
9.790
NZ
NZ
NZ
NZ
C
N
N
CE
NZ
NZ
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
LYS F:31 F:31 108.0 0.54 H -73.8 -48.9 108.0 0.54 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
8.883
5.971
4.319
7.541
7.487
8.609
7.340
5.909
6.567
8.233
N
N
N
CE
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
C2'
OP2
C7
O6
7e8d 2 P62805 100.0 5e-67 EM
2021-11-10 LYS B:31 B:31 110.0 0.55 H -61.7 -46.0 110.0 0.55 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
9.191
6.853
6.073
7.253
7.925
9.522
8.680
5.801
4.287
6.483
7.200
7.566
9.779
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
O6
LYS F:31 F:31 110.0 0.55 H -61.4 -45.1 110.0 0.55 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
8.535
6.000
4.360
6.339
6.055
8.003
7.835
6.929
6.919
7.270
9.544
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
C2'
OP2
C7
O6
N4
7e8i 4 P62799 100.0 5e-67 EM
2021-06-30 LYS D:31 B:31 105.0 0.525 H -59.6 -46.5 105.0 0.525 0.0 DC
DG
DT
DG
DC
DA
DA
DC
DG
DC
DA
7.688
5.922
5.989
7.682
9.278
8.400
5.548
3.824
6.843
7.221
8.854
NZ
NZ
NZ
NZ
NZ
C
N
N
CE
NZ
NZ
C2'
OP2
C7
O6
N4
O3'
C3'
OP2
OP2
N4
N6
LYS H:31 F:31 96.0 0.48 H -59.4 -44.3 96.0 0.48 0.0 DA
DA
DA
DC
DG
DC
DC
DC
DC
DG
DC
DG
8.463
5.762
4.054
6.899
7.682
8.855
9.679
7.008
5.538
7.533
7.248
8.961
C
N
N
NZ
NZ
NZ
CE
CE
CE
NZ
NZ
NZ
O3'
O3'
OP2
N4
O6
N4
O3'
C2'
OP2
N7
N4
O6
7eg6 3 P62799 100.0 5e-67 EM
2022-01-12 LYS C:31 B:31 94.0 0.47 H -61.4 -44.1 94.0 0.47 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
8.840
6.415
5.444
8.259
8.170
9.985
8.889
6.160
4.281
7.529
7.966
9.018
NZ
NZ
NZ
CE
CE
CE
C
N
N
CD
CE
CE
O3'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
LYS G:31 F:31 112.0 0.56 H -61.7 -39.2 112.0 0.56 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.758
6.194
4.421
7.560
6.917
8.061
9.305
6.824
6.035
6.773
8.099
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
O3'
C2'
OP2
C7
O6
7egp 12 P62799 100.0 5e-67 EM
2022-01-12 LYS M:31 P:31 89.0 0.445 H -59.6 -34.6 89.0 0.445 0.0 DA
DA
DC
DG
DC
DA
DC
DA
DC
DG
DT
DG
DC
8.309
5.876
4.198
7.579
6.839
8.713
9.851
9.702
6.598
4.426
5.728
7.496
9.036
N
N
N
CD
CE
NZ
NZ
NZ
NZ
NZ
CE
CE
CE
O3'
C3'
OP2
N7
N4
N6
N4
O3'
C2'
OP2
C7
O6
N4
LYS Q:31 T:31 83.0 0.415 H -70.5 -33.4 83.0 0.415 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DA
DC
DG
DC
9.692
6.976
5.273
6.011
8.423
9.160
9.750
8.836
6.715
6.873
7.186
6.791
6.817
NZ
NZ
NZ
NZ
NZ
NZ
N
N
N
N
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O6
C5'
O3'
OP2
OP2
C5
O6
N4
7enn 3 P62799 100.0 5e-67 EM
2021-07-14 LYS C:31 L:31 108.0 0.54 H -59.0 -42.9 108.0 0.54 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
9.295
6.636
5.669
7.148
7.697
9.772
8.798
6.127
4.373
7.443
7.289
7.962
9.695
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
O6
LYS G:31 F:31 107.0 0.535 H -59.7 -42.6 107.0 0.535 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.719
6.015
4.518
7.802
7.372
8.258
9.060
6.548
5.627
6.718
8.314
C
N
N
CE
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
O3'
C2'
OP2
C7
O6
7jzv 6 P62805 100.0 5e-67 EM
2021-02-17 LYS F:31 Q:31 113.0 0.565 H -57.0 -54.5 113.0 0.565 0.0 DA
DA
DA
DC
DG
DC
DC
DC
DC
DG
8.444
5.710
4.122
6.385
8.956
9.580
9.288
7.470
7.924
9.692
C
N
N
NZ
NZ
NZ
NZ
NZ
CD
NZ
O3'
C3'
OP2
OP2
N7
N4
O3'
OP2
OP2
O6
LYS L:31 q:31 110.0 0.55 H -58.4 -52.5 110.0 0.55 0.0 DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
7.846
7.304
8.457
9.486
8.473
5.496
4.005
7.071
7.986
9.654
NZ
CD
CD
NZ
C
N
N
NZ
NZ
NZ
C5'
OP2
C7
O6
O3'
C3'
OP2
OP2
N4
N6
7oh9 2 P62799 100.0 5e-67 EM
2021-07-28 LYS B:31 B:31 104.0 0.52 H -56.9 -49.7 104.0 0.52 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.479
5.761
4.204
7.362
7.143
8.323
9.707
6.723
5.065
6.121
7.748
C
N
N
CD
NZ
NZ
CE
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
O3'
C2'
OP2
C7
O6
LYS F:31 F:31 115.0 0.575 H -55.0 -47.7 115.0 0.575 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
8.776
6.569
6.296
7.277
8.170
8.500
5.843
4.010
7.004
7.474
7.517
9.592
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
O6
7oha 2 P62799 100.0 5e-67 EM
2021-07-28 LYS B:31 B:31 98.0 0.49 H -55.7 -46.5 98.0 0.49 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
8.491
5.642
4.084
6.705
6.457
8.604
8.259
6.678
6.192
7.205
8.900
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
C2'
OP2
C7
O6
N4
LYS F:31 F:31 102.0 0.51 H -57.9 -43.8 102.0 0.51 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
8.922
6.208
5.298
7.296
7.620
9.689
8.443
5.642
4.170
7.417
7.752
8.352
9.816
CE
NZ
NZ
NZ
NZ
NZ
C
N
N
CD
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
O6
7ohb 2 P62799 100.0 5e-67 EM
2021-07-28 LYS B:31 B:31 103.0 0.515 H -62.3 -40.7 103.0 0.515 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
8.624
5.927
4.538
6.708
6.590
8.713
7.859
6.466
6.372
7.436
9.188
C
N
N
CE
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
C2'
OP2
C7
O6
N4
LYS F:31 F:31 104.0 0.52 H -58.5 -39.7 104.0 0.52 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
7.564
6.499
7.342
7.276
8.995
8.555
5.785
4.044
6.198
7.149
8.063
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
7ohc 2 P62799 100.0 5e-67 EM
2021-07-28 LYS B:31 B:31 112.0 0.56 H -58.9 -45.8 112.0 0.56 0.0 DA
DA
DC
DG
DC
DA
DC
DA
DC
DG
DT
DG
DC
8.460
5.769
4.501
6.854
6.307
7.910
9.966
9.937
7.191
6.299
6.723
7.623
9.790
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
N4
O3'
C2'
OP2
C7
O6
N4
LYS F:31 F:31 105.0 0.525 H -59.2 -42.7 105.0 0.525 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
9.029
6.463
5.719
6.437
7.108
9.186
8.614
5.905
4.113
6.656
6.870
7.423
9.545
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
O6
1p3p 3 P62799 99.02 7e-67 X-RAY
2004-02-24 LYS D:31 B:31 100.0 0.5 H -53.4 -51.7 100.0 0.5 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
DA
HOH
9.015
6.417
4.705
5.662
6.809
8.127
9.031
6.545
5.595
6.806
7.274
9.861
3.203
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CE
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
N6
O
LYS H:31 F:231 108.0 0.54 H -55.9 -40.4 108.0 0.54 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
HOH
9.215
6.674
5.815
7.108
7.619
8.871
5.857
4.132
6.955
6.264
7.697
9.736
3.110
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
O3'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
C7
O4
N4
O
6dzt 2 P84040 98.06 7e-67 EM
2019-05-22 LYS B:33 B:31 107.0 0.535 H -62.6 -43.2 107.0 0.535 0.0 DA
DA
DA
DC
DG
DC
DC
DC
DG
DC
DG
8.607
5.945
4.237
6.621
7.294
8.200
6.958
5.700
7.330
7.510
9.409
C
N
N
CE
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C5
O6
N4
C2'
OP2
O6
N4
O6
LYS F:33 F:31 109.0 0.545 H -58.2 -40.6 109.0 0.545 0.0 DA
DC
DG
DT
DG
DC
DA
DA
DC
DG
DC
DA
9.471
6.863
5.935
6.485
7.359
9.899
8.671
6.185
4.479
6.809
6.214
7.791
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
C2'
OP2
C7
O6
N4
O3'
C3'
OP2
N7
N4
N6
5f99 2 P62799 99.03 7e-67 X-RAY
2016-02-03 LYS B:32 B:31 100.0 0.5 H -45.6 -33.0 100.0 0.5 0.0 DC
DC
DG
DC
DT
DC
DA
DC
DG
DA
DG
HOH
9.051
6.378
4.788
7.725
8.214
9.037
6.855
5.288
7.904
7.511
9.804
2.591
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
O4
N4
C3'
OP2
O6
N6
O6
O
LYS F:32 F:31 115.0 0.575 H -61.2 -54.7 115.0 0.575 0.0 DC
DT
DT
DT
DC
DT
DG
DG
DA
DA
HOH
6.793
5.279
6.116
7.711
8.925
6.149
4.270
7.133
7.146
8.663
2.845
NZ
NZ
NZ
NZ
C
N
N
CD
NZ
NZ
N
C2'
OP2
C7
O4
O3'
C3'
OP2
N7
N6
N6
O
2nqb 3 P84040 98.06 7e-67 X-RAY
2007-09-11 LYS D:32 B:31 107.0 0.535 H -49.9 -46.8 107.0 0.535 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
HOH
9.126
6.290
4.607
5.935
7.139
8.361
9.866
6.289
5.509
7.019
7.518
3.145
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O
O3'
C3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
O
LYS H:32 F:231 110.0 0.55 H -56.6 -44.3 110.0 0.55 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
9.876
6.541
5.534
6.587
7.207
9.739
9.029
6.215
4.317
6.796
6.411
7.723
9.769
2.868
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
O4
O4
N4
O
2pyo 4 P84040 99.02 1e-66 X-RAY
2007-11-06 LYS D:31 B:31 107.0 0.535 H -53.2 -49.2 107.0 0.535 0.0 DC
DA
DT
DG
DT
DT
DC
DT
DG
DA
DA
HOH
9.024
5.891
4.155
7.717
7.008
8.507
9.491
6.068
5.101
7.262
7.994
6.593
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
N
O3'
C3'
OP2
N7
O4
O4
C2'
C2'
OP2
N6
N6
O
LYS H:31 F:31 107.0 0.535 H -60.7 -43.8 107.0 0.535 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
9.698
6.559
5.679
7.050
7.459
9.987
8.960
6.267
4.432
6.967
6.228
7.800
9.708
4.541
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
CE
C2'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
O4
O4
N4
O
4qlc 4 P84040 99.02 1e-66 X-RAY
2015-07-22 LYS D:31 B:31 109.0 0.545 H -52.9 -54.2 109.0 0.545 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
DC
8.527
6.351
4.604
7.213
6.200
6.921
9.837
6.865
5.525
5.953
6.703
9.607
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
C2'
C2'
OP2
C7
O6
N4
LYS H:31 F:31 102.0 0.51 H -55.8 -49.4 102.0 0.51 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
9.888
6.999
5.784
6.445
7.809
9.547
8.940
6.065
4.417
6.918
7.007
7.393
9.347
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
O6
1p3o 3 P62799 99.02 2e-66 X-RAY
2004-02-24 LYS D:31 B:31 100.0 0.5 H -52.4 -50.9 100.0 0.5 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
HOH
8.944
6.264
4.598
5.978
7.138
8.366
9.371
6.274
5.489
7.156
7.588
6.614
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
N
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
O
LYS H:31 F:231 103.0 0.515 H -61.4 -45.3 103.0 0.515 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
8.653
6.350
5.349
6.864
7.154
9.751
9.069
5.950
4.210
6.853
6.311
7.746
9.815
2.887
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
O3'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
O
1p3g 3 P62799 99.02 2e-66 X-RAY
2004-02-24 LYS D:31 B:31 105.0 0.525 H -48.3 -52.6 105.0 0.525 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
DA
HOH
8.091
6.218
4.347
6.150
6.978
8.154
9.903
6.550
5.560
6.875
7.024
9.375
7.159
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CB
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
N6
O
LYS H:31 F:231 100.0 0.5 H -61.4 -41.1 100.0 0.5 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
9.012
6.444
5.502
7.132
7.541
9.841
9.150
6.053
4.269
6.834
6.513
7.807
9.842
2.869
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
O3'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
O4
O4
N4
O
1p3i 3 P62799 99.02 2e-66 X-RAY
2004-02-24 LYS D:31 B:31 103.0 0.515 H -56.2 -47.4 103.0 0.515 0.0 DG
DC
DA
DT
DG
DT
DT
DT
DG
DA
DA
DC
DA
HOH
9.080
6.265
4.715
5.538
6.795
8.003
9.847
9.184
6.606
5.896
7.005
7.309
9.921
6.940
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
NZ
N
O3'
C3'
OP2
C7
O6
O4
O4
O3'
C2'
OP2
N6
N4
N6
O
LYS H:31 F:231 108.0 0.54 H -57.5 -46.3 108.0 0.54 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
9.444
6.568
5.887
6.853
7.576
9.797
8.874
6.101
4.258
6.609
5.912
7.512
9.519
2.738
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
O3'
C2'
N7
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
O
7v6q 3 P62805 100.0 3e-66 X-RAY
2021-12-29 LYS C:31 C:31 87.0 0.435 H -68.5 -40.0 87.0 0.435 0.0 1PE
HOH
5.676
3.869
O
CD
C15
O
LYS G:31 G:31 95.0 0.475 H -68.7 -40.4 NA NA NA
1p3b 3 P62799 99.02 3e-66 X-RAY
2004-02-24 LYS D:31 B:31 104.0 0.52 H -57.8 -45.4 104.0 0.52 0.0 DG
DC
DA
DT
DG
DT
DT
DT
DG
DA
DA
DC
HOH
9.015
6.268
4.688
6.004
7.324
8.135
9.802
8.762
6.184
5.439
7.106
7.450
7.280
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
CD
O3'
C3'
OP2
C7
O6
O4
O4
O3'
C2'
OP2
N6
N4
O
LYS H:31 F:231 100.0 0.5 H -49.8 -52.2 100.0 0.5 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
9.115
6.417
5.428
6.856
7.577
9.836
8.892
5.934
4.166
7.196
6.446
7.954
9.445
2.690
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
O3'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
O4
O4
N4
O
1p3f 3 P62799 99.02 4e-66 X-RAY
2004-02-24 LYS D:31 B:31 110.0 0.55 H -59.6 -42.6 110.0 0.55 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
HOH
9.171
6.064
4.360
5.385
6.336
8.051
9.503
6.791
5.739
6.934
7.082
7.066
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CD
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
O
LYS H:31 F:231 103.0 0.515 H -35.9 -61.6 103.0 0.515 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
HOH
9.350
6.802
5.699
7.594
8.161
8.894
6.043
4.329
7.362
6.615
8.266
9.857
2.561
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
O3'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
C7
O4
N4
O
6muo 2 P62805 100.0 6e-62 EM
2019-07-24 LYS B:24 B:31 117.0 0.585 H -58.2 -48.0 117.0 0.585 0.0 DG
DC
DA
DT
DG
DA
8.643
5.517
3.768
5.905
9.788
8.646
N
N
CB
NZ
NZ
O
O3'
O3'
OP2
OP2
N7
OP2
LYS F:24 F:31 117.0 0.585 H -66.2 -43.6 117.0 0.585 0.0 DA
DA
DT
DG
DG
DA
DG
8.492
9.449
8.683
5.022
3.272
5.452
9.066
O
N
N
N
CB
NZ
NZ
OP2
OP1
O3'
C3'
OP2
OP2
N7
6mup 2 P62805 100.0 6e-62 EM
2019-07-24 LYS B:24 B:31 113.0 0.565 H -67.5 -55.2 113.0 0.565 0.0 DG
DC
DA
DT
DG
DG
DA
8.870
5.648
3.689
6.148
9.281
9.249
8.571
C
N
N
NZ
NZ
NZ
O
O3'
O3'
OP2
OP2
N7
OP2
OP2
LYS F:24 F:31 106.0 0.53 H -60.8 -53.6 106.0 0.53 0.0 DA
DA
DT
DG
DG
DA
DG
9.907
8.595
8.655
5.693
4.055
6.280
9.440
NZ
O
C
N
N
NZ
NZ
OP2
OP2
O3'
O3'
OP2
OP2
N7
7k6q 2 P62799 100.0 1e-60 EM
2021-02-10 LYS B:21 B:31 93.0 0.465 H -59.6 -45.5 93.0 0.465 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
DC
8.506
5.609
4.468
7.305
7.118
8.434
9.887
7.154
5.572
5.638
7.572
9.209
C
N
N
CD
NZ
NZ
CE
CE
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
O3'
C2'
OP2
C7
O6
N4
LYS F:21 F:31 113.0 0.565 H -60.1 -46.1 113.0 0.565 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
9.896
7.188
5.823
6.482
6.674
8.058
8.310
5.425
3.729
5.656
6.160
7.313
9.231
CE
CE
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O6
O3'
O3'
OP2
C5
O6
N4
O6
7k6p 2 P62799 100.0 2e-59 EM
2021-02-10 LYS B:19 B:31 91.0 0.455 H -61.5 -45.3 91.0 0.455 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
8.417
5.832
4.668
6.684
6.971
8.340
6.978
5.456
5.821
7.548
9.187
C
N
N
CE
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP1
N7
N4
N6
C2'
OP2
C7
O6
N4
LYS F:19 F:31 104.0 0.52 H -61.6 -45.6 104.0 0.52 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
9.277
7.708
6.703
8.736
8.701
8.383
5.563
3.769
6.575
8.160
9.282
NZ
NZ
CD
CE
CD
C
N
N
CE
CE
CE
O3'
C2'
OP2
O6
N4
O3'
O3'
OP2
OP2
O6
N4
6iy2 2 P62799 100.0 4e-58 EM
2019-04-03 LYS B:17 B:31 106.0 0.53 H -57.4 -46.4 106.0 0.53 0.0 DC
DC
DG
DC
DT
DC
DA
DC
DG
DA
DG
9.006
6.122
4.330
7.364
7.658
8.576
7.148
5.631
7.553
7.833
9.354
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
O4
N4
C2'
OP2
O6
N6
O6
LYS F:17 F:31 105.0 0.525 H -59.8 -43.6 105.0 0.525 0.0 DC
DT
DT
DT
DC
DC
DT
DG
DG
DA
DA
8.015
5.933
6.385
8.152
9.822
9.037
5.757
4.106
7.430
7.790
8.884
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
C7
O4
N4
O3'
C3'
OP2
N7
N6
N6
6iy3 2 P62799 100.0 4e-58 EM
2019-04-03 LYS B:17 B:31 110.0 0.55 H -56.1 -46.3 110.0 0.55 0.0 DC
DC
DG
DC
DT
DC
DA
DC
DG
DA
DG
9.055
5.900
4.704
7.024
7.316
9.037
7.609
5.489
7.843
8.001
9.501
C
N
CB
CD
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
O4
N4
C3'
OP2
O6
N6
O6
LYS F:17 F:31 119.0 0.595 H -60.2 -45.9 119.0 0.595 0.0 DC
DT
DT
DT
DC
DT
DG
DG
DA
DA
7.345
6.016
6.669
8.376
8.668
5.629
4.164
6.750
7.599
8.457
NZ
NZ
NZ
NZ
C
N
CB
CD
NZ
NZ
C2'
OP2
C7
O4
O3'
C3'
OP2
OP2
N6
N6
3w99 2 P62805 100.0 1e-57 X-RAY
2013-08-28 LYS B:34 B:31 105.0 0.525 H -50.1 -42.2 105.0 0.525 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
9.242
6.141
4.561
6.830
8.069
8.908
9.583
6.027
5.617
8.244
8.411
N
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
O3'
OP2
C7
O6
O4
C2'
C2'
OP2
N6
N4
LYS F:34 F:31 98.0 0.49 H -57.9 -48.1 98.0 0.49 0.0 DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
6.441
5.170
7.221
7.507
8.890
5.740
4.461
7.762
6.963
8.354
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
O4
O4
1aoi 3 P62799 100.0 2e-57 X-RAY
1998-09-30 LYS D:16 B:31 106.0 0.53 H -52.4 -50.1 106.0 0.53 0.0 DG
DC
DA
DT
DG
DT
DG
DA
DA
DC
8.978
6.112
4.631
6.156
6.934
8.587
6.418
5.422
6.982
7.737
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
C2'
OP2
N6
N4
LYS H:16 F:31 108.0 0.54 H -49.4 -52.9 108.0 0.54 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
9.898
7.045
6.026
7.158
7.211
9.993
9.011
6.187
4.349
6.410
5.850
7.776
9.969
6.365
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
O
6ipu 5 P62805 100.0 2e-57 X-RAY
2020-01-15 LYS F:16 F:31 110.0 0.55 H -53.9 -46.4 110.0 0.55 0.0 DT
DG
DA
DA
DC
DA
DG
DC
DA
DT
DG
DT
DT
HOH
9.532
6.105
5.362
6.634
7.175
9.766
8.974
6.221
4.507
5.947
7.048
7.926
9.873
2.793
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N4
N6
O3'
O3'
OP2
C7
O6
O4
O4
O
6iq4 5 P62805 100.0 2e-57 X-RAY
2019-10-30 LYS F:16 F:31 105.0 0.525 H -53.9 -44.6 105.0 0.525 0.0 DT
DG
DA
DA
DC
DA
DG
DC
DA
DT
DG
DT
DT
HOH
9.975
6.416
5.530
6.609
7.014
9.630
9.035
6.370
4.697
5.676
6.730
7.746
9.772
3.132
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O
C2'
C2'
OP2
N6
N4
N6
O3'
O3'
OP2
C7
O6
O4
O4
O
6jm9 4 P62799 100.0 2e-57 EM
2019-05-15 LYS D:16 B:31 111.0 0.555 H -54.5 -45.0 111.0 0.555 0.0 DG
DC
DA
DT
DG
DT
DT
DT
DG
DA
DA
DC
9.064
6.298
4.680
5.621
6.501
8.011
9.947
9.749
6.009
5.212
6.687
7.159
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
C7
O6
O4
O4
C2'
C2'
OP2
N6
N4
LYS H:16 F:31 109.0 0.545 H -52.4 -47.3 109.0 0.545 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
9.337
6.123
5.341
6.777
7.465
9.867
8.853
6.210
4.253
6.999
6.351
7.723
9.622
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
6jma 3 P62799 100.0 2e-57 EM
2019-05-15 LYS D:16 B:31 112.0 0.56 H -54.5 -45.1 112.0 0.56 0.0 DG
DC
DA
DT
DG
DT
DT
DT
DG
DA
DA
DC
9.065
6.298
4.680
5.621
6.500
8.012
9.948
9.748
6.009
5.212
6.687
7.159
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
C7
O6
O4
O4
C2'
C2'
OP2
N6
N4
LYS H:16 F:31 110.0 0.55 H -52.4 -47.3 110.0 0.55 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
9.337
6.122
5.341
6.777
7.465
9.867
8.853
6.209
4.252
6.999
6.351
7.723
9.622
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
6jxd 6 P62805 100.0 2e-57 X-RAY
2020-01-15 LYS F:16 F:31 111.0 0.555 H -43.3 -59.4 111.0 0.555 0.0 DA
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
9.763
6.706
5.768
6.607
7.332
9.590
8.768
6.195
4.278
6.786
6.640
7.666
9.466
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
O6
6ke9 2 P62805 100.0 2e-57 X-RAY
2020-04-22 LYS B:16 B:31 106.0 0.53 H -61.4 -46.2 106.0 0.53 0.0 DT
DA
DG
DG
DG
DT
DC
DT
DA
DA
DC
8.905
6.408
4.760
7.150
6.135
7.695
9.888
6.438
5.323
6.521
7.515
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
N7
O6
O4
O3'
C2'
OP2
N6
N4
LYS F:16 F:31 106.0 0.53 H -56.7 -47.4 106.0 0.53 0.0 DG
DG
DG
DT
DT
DA
DC
DC
DC
DT
DA
DA
MN
9.595
5.997
5.351
6.754
8.601
9.220
9.268
6.202
4.196
5.897
6.567
9.743
8.585
NZ
NZ
NZ
CE
CE
CE
C
N
N
CD
NZ
NZ
NZ
O3'
C2'
OP2
C7
C7
N6
O3'
C3'
OP2
C7
N6
N6
MN
6l9h 2 P62805 100.0 2e-57 X-RAY
2020-04-22 LYS B:16 B:31 110.0 0.55 H -68.9 -38.4 110.0 0.55 0.0 DT
DA
DG
DG
DG
DT
DC
DT
DA
DA
DC
8.730
5.943
4.303
6.770
5.884
7.962
9.669
6.540
5.598
6.834
7.943
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
N7
O6
O4
O3'
C2'
OP2
N6
N4
LYS F:16 F:31 109.0 0.545 H -65.8 -38.0 109.0 0.545 0.0 DG
DG
DT
DT
DA
DC
DC
DC
DT
DA
DA
MN
6.070
5.217
6.506
8.318
8.619
9.190
6.381
4.312
5.905
6.534
9.751
9.374
NZ
NZ
NZ
CE
CE
C
N
N
CD
NZ
NZ
NZ
C2'
OP2
C7
O4
N6
O3'
C3'
OP2
C7
N6
N6
MN
6le9 2 P62805 100.0 2e-57 X-RAY
2020-04-22 LYS B:16 B:31 106.0 0.53 H -69.0 -37.9 106.0 0.53 0.0 DC
DC
DC
DT
DA
DA
DG
DG
DG
DT
DT
DA
MN
8.871
6.248
4.513
5.391
5.982
7.507
9.732
5.892
5.543
6.141
8.085
9.478
9.341
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
O3'
C3'
OP2
C7
N6
N6
O3'
C8
OP2
C7
O4
N6
MN
LYS F:16 F:31 104.0 0.52 H -65.2 -38.1 104.0 0.52 0.0 DT
DA
DA
DC
DC
DT
DA
DG
DG
DG
6.349
5.373
7.255
8.050
9.367
9.220
6.224
4.268
7.403
6.575
NZ
NZ
NZ
CE
CE
C
N
N
CD
NZ
C2'
OP2
N6
N4
N4
O3'
C3'
OP2
OP2
O6
6r1t 2 ? 100.0 2e-57 EM
2019-04-24 LYS B:16 B:31 106.0 0.53 H -54.6 -46.9 106.0 0.53 0.0 DA
DA
DA
DC
DG
DC
DC
DC
DC
DG
DC
8.910
5.765
3.975
7.783
8.323
8.731
9.274
6.011
4.749
7.491
7.980
C
N
N
CD
NZ
NZ
CE
NZ
NZ
NZ
NZ
O3'
O3'
OP2
OP2
O6
N4
O3'
C2'
OP2
N7
N4
LYS F:16 F:31 119.0 0.595 H -56.9 -39.5 119.0 0.595 0.0 DA
DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
9.373
7.393
6.992
8.112
8.804
9.072
5.953
4.178
6.716
7.467
8.653
NZ
NZ
CD
NZ
NZ
N
N
N
NZ
NZ
NZ
O3'
OP2
OP2
O4
O6
O3'
O3'
OP2
OP2
N4
N6
6fq8 2 P62799 100.0 1e-56 EM
2018-04-18 LYS B:15 B:31 107.0 0.535 H -56.5 -55.9 107.0 0.535 0.0 DA
DA
DA
DC
DG
DC
DG
DC
DC
DC
DG
DC
9.080
6.766
5.228
7.802
8.322
9.357
9.501
5.952
4.069
3.946
7.872
8.233
N
N
N
CD
CE
CE
CE
NZ
NZ
CE
CE
CE
O3'
C3'
OP2
C5
O6
N4
O6
O3'
OP2
OP2
N7
N4
LYS F:15 F:31 112.0 0.56 H -57.7 -47.0 112.0 0.56 0.0 DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
7.993
5.756
7.043
8.000
9.035
6.315
4.994
5.941
6.805
8.511
CD
CD
NZ
NZ
N
N
N
NZ
NZ
NZ
C2'
OP2
C7
O6
O3'
C3'
OP2
OP2
N4
N6
6fq5 5 P62799 100.0 4e-56 EM
2018-04-18 LYS F:14 F:31 117.0 0.585 H -56.4 -48.8 117.0 0.585 0.0 DC
DG
DT
DG
DC
DA
DA
DC
DG
DC
DA
7.623
6.736
7.713
7.378
9.899
8.967
6.502
4.741
6.274
5.762
8.264
CD
CD
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
O4
O6
N4
O3'
C3'
OP2
N7
N4
N6
6fq6 2 P62799 100.0 4e-56 EM
2018-04-18 LYS B:14 B:31 93.0 0.465 H -56.5 -51.4 93.0 0.465 0.0 DA
DA
DA
DC
DG
DC
DC
DC
DC
DG
DC
8.693
6.229
4.646
7.455
8.807
9.809
8.344
6.180
5.462
9.015
9.377
N
N
N
CD
CE
CE
NZ
NZ
CE
CE
CD
O3'
C3'
OP2
C5
O6
N4
O3'
OP2
OP2
O6
N4
LYS F:14 F:31 107.0 0.535 H -57.5 -45.9 107.0 0.535 0.0 DA
DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
9.828
7.530
5.710
7.677
8.668
9.030
6.721
5.507
6.335
7.199
9.040
CD
CD
CD
CE
NZ
N
N
N
NZ
NZ
NZ
O3'
C2'
OP2
C7
O6
O3'
C3'
OP2
OP2
N4
N6
6fq5 2 P62799 100.0 2e-55 EM
2018-04-18 LYS B:14 B:31 109.0 0.545 H -52.7 -54.5 109.0 0.545 0.0 DA
DA
DA
DC
DG
DC
DC
DC
DC
DG
DC
DG
8.496
5.746
4.430
7.502
7.535
9.533
8.223
5.982
5.320
8.522
8.169
9.986
C
N
CB
CD
CE
CE
NZ
NZ
CE
CE
CE
CE
O3'
C3'
OP2
C5
O6
N4
O3'
C2'
OP2
O6
N4
O6
5mlu 2 P62799 100.0 7e-55 X-RAY
2017-05-10 LYS B:13 B:31 103.0 0.515 H -58.5 -45.4 103.0 0.515 0.0 DA
DA
DA
DC
DG
DC
DG
DC
DC
DC
DG
DC
HOH
8.737
5.819
3.857
7.235
6.669
8.324
9.849
9.650
6.299
5.555
6.718
7.698
3.006
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
N
O3'
O3'
OP2
C5
O6
N4
O6
C2'
C2'
OP2
O6
N4
O
LYS F:13 F:31 109.0 0.545 H -62.8 -49.0 109.0 0.545 0.0 DA
DC
DG
DT
DG
DA
DA
DC
DG
DC
DA
HOH
9.156
6.151
5.493
6.917
7.650
8.766
5.851
3.971
7.756
6.906
7.977
2.451
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
C7
O6
O3'
C3'
OP2
N7
N4
N6
O
2hue 3 P62799 100.0 2e-54 X-RAY
2006-11-21 LYS C:13 C:31 104.0 0.52 H -64.4 -44.5 104.0 0.52 0.0 SO4
HOH
5.854
2.928
N
NZ
O3
O
3nqj 2 P62805 100.0 2e-54 X-RAY
2010-08-25 LYS B:13 B:31 115.0 0.575 H -57.4 -44.7 115.0 0.575 0.0 PO4
PO4
PO4
HOH
5.841
2.631
3.314
3.006
O
NZ
NZ
N
O3
O3
O1
O
4zbj 3 P62799 100.0 2e-54 X-RAY
2015-07-15 LYS C:13 C:31 114.0 0.57 H -57.2 -47.7 114.0 0.57 0.0 CL
CL
HOH
7.395
4.132
3.143
N
CB
N
CL
CL
O
6yn1 4 P62799 100.0 2e-54 X-RAY
2021-11-17 LYS D:13 D:31 110.0 0.55 H -47.2 -49.6 110.0 0.55 0.0 GOL
HOH
6.521
5.326
N
CE
O1
O
LYS I:13 I:31 115.0 0.575 H -60.8 -47.4 115.0 0.575 0.0 HOH
4.301
CE
O
LYS N:13 N:31 105.0 0.525 H -54.6 -48.9 NA NA NA
LYS S:13 S:31 118.0 0.59 H -58.3 -41.8 NA NA NA
LYS X:13 X:31 100.0 0.5 H -62.4 -45.9 NA NA NA
LYS CA:13 c:31 99.0 0.495 H -50.1 -47.8 NA NA NA
LYS HA:13 h:31 121.0 0.605 H -63.5 -48.5 NA NA NA
LYS MA:13 m:31 108.0 0.54 H -52.6 -47.8 NA NA NA
3kwq 2 P62799 100.0 3e-54 X-RAY
2010-05-12 LYS B:12 B:31 101.0 0.505 H -47.2 -53.1 101.0 0.505 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
9.055
6.542
4.979
6.254
7.560
8.954
9.607
6.074
5.406
7.440
8.159
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
LYS F:12 F:31 117.0 0.585 H -55.7 -47.9 117.0 0.585 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
9.406
6.496
5.815
7.644
8.352
8.861
6.056
4.311
7.257
6.706
8.105
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
C2'
N7
N6
N6
O3'
C3'
OP2
N7
C7
O4
4h9s 2 P62805 100.0 3e-54 X-RAY
2012-10-17 LYS C:12 C:31 119.0 0.595 H -54.8 -41.6 119.0 0.595 0.0 PO4
HOH
5.028
3.097
N
NZ
O3
O
LYS D:12 D:31 118.0 0.59 H -58.8 -41.1 NA NA NA
6y5e 5 P62805 100.0 3e-54 EM
2020-09-23 LYS F:12 F:32 107.0 0.535 H -50.9 -58.9 107.0 0.535 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
9.341
6.893
5.451
7.321
8.088
9.750
8.782
5.889
4.099
7.277
7.412
8.195
9.895
NZ
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
O3'
C3'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
O6
6z6p 6 P62799 100.0 3e-54 EM
2021-02-17 LYS F:12 B:31 107.0 0.535 H -46.3 -41.7 107.0 0.535 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
8.265
6.111
4.522
7.424
8.841
9.385
8.910
6.513
7.429
8.849
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
O3'
C3'
OP2
OP2
N4
N6
O3'
OP2
OP2
O4
6yov 2 P62805 98.84 4e-54 EM
2020-05-06 LYS B:34 B:32 119.0 0.595 H -57.0 -49.3 119.0 0.595 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
8.531
5.935
4.476
7.041
9.453
9.924
7.807
8.538
9.799
N
N
N
NZ
NZ
NZ
NZ
CD
CD
O3'
C3'
OP2
OP2
N4
O3'
OP2
OP2
C7
4z66 2 P62799 100.0 1e-53 X-RAY
2015-10-14 LYS B:11 B:31 100.0 0.5 H -57.8 -47.3 100.0 0.5 0.0 DC
DA
DT
DG
DT
DT
DC
DT
DG
DA
DA
DC
HOH
8.886
5.992
4.236
7.517
6.764
8.657
9.960
6.809
5.689
7.495
7.633
9.773
6.536
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
NZ
N
O3'
C3'
OP2
N7
C7
O4
O3'
C2'
OP2
N6
N6
N4
O
LYS F:11 F:231 116.0 0.58 H -53.7 -46.7 116.0 0.58 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
HOH
9.791
6.691
5.578
7.082
7.557
9.113
6.185
4.309
6.786
6.232
7.875
9.616
2.954
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
C7
O4
N4
O
5wcu 2 P84040 100.0 1e-53 X-RAY
2018-10-31 LYS B:11 B:31 130.0 0.65 H -55.2 -48.8 130.0 0.65 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
DC
9.778
7.216
5.290
6.658
5.190
7.527
9.589
7.154
5.663
6.392
7.378
9.660
N
N
N
NZ
NZ
NZ
NZ
NZ
CD
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
C2'
C5
OP2
O4
O6
N4
LYS F:11 F:31 128.0 0.64 H -55.2 -49.1 128.0 0.64 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
DG
7.690
6.276
6.098
5.314
7.210
7.927
5.002
3.092
4.349
4.782
6.771
8.835
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
N4
O6
N4
O6
LYS L:11 L:31 134.0 0.67 H -55.3 -48.9 NA NA NA
LYS P:11 P:31 109.0 0.545 H -55.2 -48.7 NA NA NA
6ipu 2 P62805 100.0 1e-53 X-RAY
2020-01-15 LYS B:11 B:31 107.0 0.535 H -49.2 -47.3 107.0 0.535 0.0 DG
DC
DA
DT
DG
DT
DT
DT
DG
DA
DA
DC
HOH
9.139
6.510
4.621
6.261
7.341
8.089
9.921
8.735
5.709
5.179
6.858
7.423
3.416
C
N
N
CE
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CB
O3'
C3'
OP2
C7
O6
O4
O4
O3'
C2'
OP2
N6
N4
O
6iq4 2 P62805 100.0 1e-53 X-RAY
2019-10-30 LYS B:11 B:31 110.0 0.55 H -37.4 -49.8 110.0 0.55 0.0 DG
DC
DA
DT
DG
DT
DT
DT
DG
DA
DA
DC
9.237
6.554
4.640
6.235
7.194
7.951
9.945
8.934
5.789
5.149
6.694
7.229
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
O4
O3'
C2'
OP2
N6
N4
6jxd 2 P62805 100.0 1e-53 X-RAY
2020-01-15 LYS B:11 B:31 109.0 0.545 H -47.6 -46.2 109.0 0.545 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
DC
9.133
6.309
4.529
7.060
6.952
8.031
9.644
6.072
6.534
6.453
7.564
9.682
C
N
N
CE
CE
NZ
NZ
NZ
NZ
CE
CE
CE
O3'
C3'
OP2
N7
N4
N6
C2'
O3'
N7
C7
O6
N4
4eo5 3 P62799 98.8 2e-53 X-RAY
2012-06-13 LYS C:12 C:31 99.0 0.495 H -58.7 -45.3 99.0 0.495 0.0 HOH
3.789
CB
O
6y5e 2 P62805 100.0 6e-53 EM
2020-09-23 LYS B:10 B:32 105.0 0.525 H -59.1 -52.9 105.0 0.525 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
8.440
5.846
4.284
7.218
7.107
8.558
7.660
6.077
6.678
8.121
N
N
N
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
C3'
OP2
C7
O6
6uph 2 Q6CMU6 91.86 6e-53 EM
2019-11-06 LYS B:47 B:32 109.0 0.545 H -65.7 -41.0 109.0 0.545 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
9.056
6.202
4.566
7.803
7.874
9.122
9.211
7.179
6.027
7.205
8.842
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
O3'
C2'
OP2
C7
O6
LYS F:47 F:32 107.0 0.535 H -68.9 -44.3 107.0 0.535 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
9.368
7.318
6.220
7.383
8.523
9.190
6.122
4.717
7.764
7.700
8.494
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
4xyi 2 B6JV96 89.53 6e-53 X-RAY
2016-02-03 LYS B:32 B:31 153.0 0.765 H -41.2 -48.7 135.0 0.675 0.09 A:B6K598:0.09
2yfw 2 Q6CMU6 91.86 7e-53 X-RAY
2011-05-25 LYS B:32 B:31 79.0 0.395 H -72.2 -39.6 79.0 0.395 0.0 HOH
8.554
N
O
LYS D:32 D:31 98.0 0.49 H -67.6 -45.7 NA NA NA
LYS F:32 F:31 108.0 0.54 H -53.7 -52.0 NA NA NA
LYS H:32 H:31 94.0 0.47 H -60.8 -54.1 94.0 0.47 0.0
4kud 2 P02309 90.7 2e-52 X-RAY
2013-08-07 LYS B:32 B:31 102.0 0.51 H -50.2 -47.7 102.0 0.51 0.0 DG
DC
DA
DT
DG
DT
DT
DG
DA
DA
DC
DA
HOH
8.879
6.197
4.390
6.287
6.917
8.129
9.400
5.894
5.365
6.942
7.881
9.881
6.210
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
CE
N
O3'
C3'
OP2
C7
O6
O4
O3'
C2'
OP2
N6
N4
N6
O
LYS F:32 F:31 115.0 0.575 H -51.0 -45.5 115.0 0.575 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
HOH
9.456
6.463
5.237
7.396
7.849
8.975
5.879
4.360
7.239
6.481
7.908
6.592
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
N
O3'
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
C7
O4
O
5zba 4 P02309 90.7 2e-52 X-RAY
2018-07-25 LYS D:32 D:31 94.0 0.47 H -60.1 -41.8 94.0 0.47 0.0 IOD
IOD
IOD
IOD
7.875
6.586
5.069
7.888
O
N
NZ
C
I
I
I
I
5zbb 4 P02309 90.7 2e-52 X-RAY
2018-07-25 LYS D:32 D:31 87.0 0.435 H -62.7 -41.9 87.0 0.435 0.0 IOD
IOD
IOD
7.875
6.637
4.455
O
N
NZ
I
I
I
6gej 3 P02309 90.7 2e-52 EM
2018-10-17 LYS D:32 C:31 102.0 0.51 H -60.9 -43.1 102.0 0.51 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
8.537
6.770
8.766
8.112
9.540
9.526
6.338
4.313
6.415
7.861
9.414
NZ
NZ
NZ
NZ
NZ
N
N
N
CE
NZ
NZ
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
OP2
O6
N4
LYS E:32 D:31 102.0 0.51 H -60.9 -43.2 102.0 0.51 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
DC
8.640
5.992
4.351
7.587
7.304
9.330
8.284
7.292
7.580
8.461
9.832
C
N
N
CE
NZ
NZ
CD
NZ
NZ
NZ
NZ
O3'
O3'
OP2
OP2
N4
N6
C5'
OP2
C7
O6
N4
6gen 3 P02309 90.7 2e-52 EM
2018-10-17 LYS D:32 C:31 100.0 0.5 H -66.5 -39.4 100.0 0.5 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
8.331
6.670
8.797
8.181
9.608
9.436
6.156
4.152
6.403
7.992
9.418
NZ
NZ
NZ
NZ
NZ
N
N
N
CE
NZ
NZ
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
OP2
O6
N4
LYS E:32 D:31 99.0 0.495 H -66.4 -39.5 99.0 0.495 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
8.521
5.973
4.209
7.198
7.426
9.540
7.885
6.966
7.623
8.470
C
N
N
CE
NZ
NZ
NZ
NZ
NZ
NZ
O3'
O3'
OP2
OP2
N4
N6
C2'
OP2
C7
O6
7k78 2 P02309 90.7 2e-52 EM
2021-03-31 LYS B:32 B:32 101.0 0.505 H -59.4 -48.5 101.0 0.505 0.0 DA
DG
DT
DA
DG
DT
DA
DA
DA
DC
8.458
5.678
4.308
7.379
7.365
9.266
7.679
6.072
7.923
8.512
C
N
N
CE
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
O6
O4
C2'
OP2
N6
N4
LYS F:32 F:32 101.0 0.505 H -58.7 -41.5 101.0 0.505 0.0 DA
DA
DA
DA
DT
DT
DA
DA
DA
DT
DT
7.694
5.969
7.734
7.361
8.896
8.692
5.883
4.341
6.639
7.355
8.890
CE
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
N7
N6
O4
O3'
C3'
OP2
N7
O4
O4
7k7g 2 P02309 90.7 2e-52 EM
2021-03-31 LYS B:32 B:32 105.0 0.525 H -54.3 -38.9 105.0 0.525 0.0 DA
DA
DC
DG
DC
DC
DG
DT
8.529
5.739
4.355
6.631
9.507
8.944
7.739
8.566
C
N
N
NZ
CD
NZ
CD
CD
O3'
C3'
OP2
OP2
N4
OP2
OP2
C7
LYS F:32 F:32 107.0 0.535 H -54.3 -38.8 107.0 0.535 0.0 DC
DC
DC
DA
DA
DA
DC
DG
7.855
7.254
9.669
8.622
5.592
3.673
7.117
9.255
NZ
CD
CD
C
N
N
NZ
CD
OP2
OP2
N4
O3'
C3'
OP2
OP2
O6
1id3 3 P02309 90.7 2e-52 X-RAY
2001-09-28 LYS D:31 B:31 111.0 0.555 H -60.5 -30.9 111.0 0.555 0.0 DG
DC
DA
DT
DG
DT
DG
DA
DA
DC
DA
HOH
8.846
6.032
4.402
6.165
7.301
8.372
6.370
5.212
6.891
7.483
9.989
6.395
N
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
C7
O6
O4
C2'
OP2
N6
N4
N6
O
LYS H:31 F:31 101.0 0.505 H -51.0 -42.0 101.0 0.505 0.0 DC
DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
HOH
9.118
6.140
5.489
8.082
9.110
9.105
5.831
4.058
7.693
7.739
9.169
3.662
NZ
NZ
CE
NZ
NZ
C
N
N
CD
NZ
NZ
CD
O3'
C2'
OP2
N6
N6
O3'
C3'
OP2
OP2
C7
O4
O
4jjn 2 P02309 90.7 2e-52 X-RAY
2013-05-15 LYS B:31 B:31 106.0 0.53 H -60.1 -43.7 106.0 0.53 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
9.478
6.818
5.424
7.253
8.508
8.691
5.803
3.937
7.485
7.875
7.870
9.420
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
C5
OP2
O6
N4
O3'
O3'
OP2
C5
O6
N4
O6
LYS F:31 F:31 102.0 0.51 H -59.4 -44.2 102.0 0.51 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.676
5.734
3.923
7.823
6.513
7.539
9.265
7.038
5.221
6.107
8.037
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
O3'
C5
OP2
C7
O6
7on1 2 A0A6A5Q1V3 90.7 2e-52 EM
2021-07-07 LYS B:34 b:32 119.0 0.595 H -65.4 -41.2 119.0 0.595 0.0 DA
DA
DC
DG
DC
DA
DC
DG
DT
DG
8.888
5.805
4.390
6.415
7.902
9.278
8.564
6.974
8.234
9.254
C
N
N
NZ
NZ
NZ
NZ
CD
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
OP2
OP2
C7
O6
LYS E:34 f:32 102.0 0.51 H -54.8 -24.4 102.0 0.51 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
8.871
6.518
5.873
8.099
9.336
9.354
6.758
5.381
7.793
9.102
9.030
NZ
NZ
NZ
NZ
NZ
C
N
N
CD
NZ
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
OP2
O6
N4
7ccq 2 ? 100.0 3e-52 EM
2020-10-07 LYS B:9 B:31 113.0 0.565 H -58.5 -48.7 113.0 0.565 0.0 DA
DA
DA
DC
DG
DC
DG
DC
DC
DC
DG
DC
DG
8.714
5.324
3.712
6.709
7.722
8.130
9.858
9.810
6.679
6.089
7.586
8.812
9.736
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
NZ
O3'
C3'
OP2
C5
O6
N4
O6
C2'
C2'
OP2
O6
N4
O6
LYS F:9 F:31 127.0 0.635 H -60.3 -48.3 127.0 0.635 0.0 DC
DG
DT
DG
DC
DA
DA
DC
DG
DC
DA
DC
7.650
6.546
6.618
6.806
9.438
8.812
5.406
3.750
5.780
5.432
7.774
9.560
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
C2'
OP2
C7
O6
N4
O3'
C3'
OP2
N7
N4
N6
N4
7ccr 2 ? 100.0 3e-52 EM
2020-10-07 LYS B:9 B:31 112.0 0.56 H -58.4 -48.7 112.0 0.56 0.0 DA
DA
DA
DC
DG
DC
DG
DC
DC
DC
DG
DC
DG
8.596
5.760
4.216
7.121
8.167
8.479
9.996
9.032
6.470
6.144
7.931
9.049
9.927
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
NZ
O3'
C3'
OP2
C5
O6
N4
O6
C2'
C2'
OP2
O6
N4
O6
LYS F:9 F:31 132.0 0.66 H -61.4 -47.9 132.0 0.66 0.0 DC
DG
DT
DG
DC
DA
DA
DC
DG
DC
DA
8.045
6.996
7.796
7.776
9.993
8.639
5.575
4.061
5.781
6.090
8.600
NZ
CD
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
C7
O6
N4
O3'
C3'
OP2
N7
N4
N6
LYS M:9 M:31 114.0 0.57 H -58.4 -48.7 114.0 0.57 0.0 DA
DA
DA
DC
DG
DC
DG
DC
DC
DC
DG
DC
DG
8.595
5.760
4.216
7.121
8.167
8.479
9.995
9.031
6.470
6.144
7.931
9.049
9.926
C
N
N
NZ
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
NZ
O3'
C3'
OP2
C5
O6
N4
O6
C2'
C2'
OP2
O6
N4
O6
LYS Q:9 Q:31 132.0 0.66 H -61.4 -47.9 132.0 0.66 0.0 DC
DG
DT
DG
DC
DA
DA
DC
DG
DC
DA
8.044
6.996
7.796
7.776
9.994
8.639
5.575
4.060
5.781
6.090
8.600
NZ
CD
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
C7
O6
N4
O3'
C3'
OP2
N7
N4
N6
4x23 4 P84040 100.0 1e-51 X-RAY
2014-12-10 LYS D:8 B:31 118.0 0.59 H -66.0 -47.8 118.0 0.59 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.555
5.587
4.277
7.273
6.635
8.157
8.847
6.907
5.723
6.993
8.029
N
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
O3'
C2'
OP2
C7
O6
LYS H:8 F:31 114.0 0.57 H -66.1 -47.5 114.0 0.57 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
DG
8.708
6.518
5.733
7.213
8.549
8.645
5.571
3.893
7.385
7.488
8.236
9.590
NZ
NZ
CE
NZ
NZ
N
N
N
NZ
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
O6
LYS P:8 L:31 117.0 0.585 H -65.8 -48.0 NA NA NA
LYS T:8 P:31 116.0 0.58 H -66.0 -47.9 NA NA NA
4xzq 2 P62799 100.0 1e-51 X-RAY
2015-10-14 LYS B:8 B:31 103.0 0.515 H -56.8 -44.9 103.0 0.515 0.0 DC
DA
DT
DG
DT
DT
DT
DG
DA
DA
DC
HOH
8.955
6.095
4.316
6.749
6.506
8.305
7.136
5.844
7.100
6.929
9.295
6.481
C
N
N
NZ
NZ
NZ
NZ
CE
NZ
NZ
NZ
N
O3'
C3'
OP2
N7
O4
O4
C2'
OP2
N6
N6
N4
O
LYS F:8 F:231 118.0 0.59 H -51.9 -48.8 118.0 0.59 0.0 DC
DT
DG
DA
DA
DC
DC
DA
DT
DG
DT
DT
DC
HOH
9.991
6.867
5.666
6.679
7.158
9.578
9.128
6.361
4.410
6.257
5.967
7.551
9.449
2.973
NZ
NZ
CE
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
C2'
OP2
N6
N6
N4
O3'
C3'
OP2
N7
C7
O4
N4
O
4ys3 2 P62799 100.0 1e-51 X-RAY
2015-10-14 LYS B:8 B:31 106.0 0.53 H -59.0 -46.6 106.0 0.53 0.0 DC
DA
DT
DG
DT
DT
DC
DT
DG
DA
DA
9.103
6.005
4.330
7.660
6.763
8.512
9.646
6.714
5.665
7.427
7.994
C
N
N
NZ
NZ
NZ
NZ
NZ
CE
NZ
NZ
O3'
C3'
OP2
N7
C7
O4
C2'
C2'
OP2
N6
N6
LYS F:8 F:231 106.0 0.53 H -59.5 -38.7 106.0 0.53 0.0 DT
DG
DA
DA
DC
DA
DT
DG
DT
DT
DC
HOH
6.919
5.879
7.230
7.594
8.951
5.994
4.036
6.584
6.128
7.654
9.717
6.825
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
NZ
N
C2'
OP2
N6
N6
O3'
C3'
OP2
N7
C7
O4
N4
O
7ktq 2 P62799 100.0 1e-51 EM
2021-02-03 LYS B:8 B:31 102.0 0.51 H -61.2 -42.5 102.0 0.51 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.640
5.808
4.203
7.557
7.377
8.717
9.623
7.153
5.826
6.076
7.884
C
N
N
CD
NZ
NZ
CE
NZ
NZ
NZ
NZ
O3'
C3'
OP2
OP2
N4
N6
O3'
C2'
OP2
C7
O6
LYS F:8 F:31 103.0 0.515 H -61.2 -42.6 103.0 0.515 0.0 DC
DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
9.995
7.035
5.916
7.854
7.543
9.625
8.732
5.863
4.137
7.724
6.891
8.963
CE
NZ
NZ
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
N4
O6
N4
7ea5 2 ? 100.0 4e-51 EM
2021-07-14 LYS B:8 B:31 105.0 0.525 H -69.0 -40.7 105.0 0.525 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.619
5.671
4.340
8.254
8.014
9.521
9.428
7.033
6.335
7.380
8.955
C
N
CB
CB
NZ
NZ
NZ
NZ
CE
CE
CE
O3'
C3'
OP2
OP2
N4
N6
O3'
C2'
OP2
C7
O6
LYS F:8 F:31 118.0 0.59 H -64.6 -41.0 118.0 0.59 0.0 DC
DC
DC
DG
DC
DA
DA
DA
DC
DG
DC
8.650
6.723
6.167
8.391
9.372
8.843
5.927
4.203
8.046
8.538
8.578
NZ
NZ
CE
NZ
NZ
C
N
N
NZ
NZ
NZ
O3'
C2'
OP2
O6
N4
O3'
C3'
OP2
C5
O6
N4
7ea8 3 ? 100.0 4e-51 EM
2021-07-14 LYS C:8 B:31 99.0 0.495 H -63.5 -44.9 99.0 0.495 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.866
6.124
4.529
8.674
8.499
9.596
9.847
7.143
5.578
7.288
9.247
C
N
N
CD
NZ
NZ
NZ
NZ
NZ
CE
NZ
O3'
C3'
OP2
N7
N4
N6
O3'
C2'
OP2
C7
O6
LYS G:8 F:31 117.0 0.585 H -68.9 -41.4 117.0 0.585 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
8.370
7.645
8.400
8.566
9.730
9.052
6.310
4.646
6.544
7.668
8.384
NZ
CD
NZ
NZ
NZ
C
N
N
NZ
NZ
NZ
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
C5
O6
N4
6z6p 10 P62799 100.0 1e-50 EM
2021-02-17 LYS J:7 F:31 98.0 0.49 H -47.4 -43.4 98.0 0.49 0.0 DC
DC
DC
DG
DA
DA
DA
DC
DC
8.975
6.511
7.751
9.751
8.551
5.985
4.455
8.282
9.945
NZ
NZ
CE
CE
C
N
N
CD
CE
C2'
OP2
OP2
O6
O3'
O3'
OP2
OP2
N4
6qld 16 P02309 91.14 1e-47 EM
2019-10-02 LYS P:8 b:32 105.0 0.525 H -69.7 -41.4 105.0 0.525 0.0 DA
DA
DC
DG
DC
DA
DA
DC
DG
DT
DG
8.181
5.342
4.728
6.937
7.253
8.538
8.487
6.353
7.493
7.824
8.559
N
N
CB
NZ
NZ
NZ
NZ
NZ
NZ
NZ
NZ
O3'
C3'
OP2
N7
N4
N6
O3'
OP2
OP2
O4
O6
LYS S:8 f:32 113.0 0.565 H -67.2 -46.5 113.0 0.565 0.0 DC
DC
DG
DC
DG
DA
DA
DA
DC
DG
DC
6.691
5.977
6.624
6.089
7.607
8.267
5.561
3.975
6.048
6.023
7.739
NZ
NZ
NZ
NZ
NZ
N
N
N
NZ
NZ
NZ
C2'
OP2
O6
N4
O6
O3'
C3'
OP2
N4
O6
N4
2yfv 2 Q6CMU6 91.89 6e-44 X-RAY
2011-05-25 LYS B:8 B:31 101.0 0.505 H -57.4 -48.0 101.0 0.505 0.0 HOH
4.092
CE
O
4psx 3 P02309 100.0 6e-15 X-RAY
2014-07-09 LYS C:31 C:31 188.0 0.94 H -63.8 -50.3 137.0 0.685 0.255 B:P39984:0.255
HOH
5.288
O
O
LYS F:31 F:31 187.0 0.935 H -65.4 -49.4 NA NA NA
6s1r 2 P09322 96.77 4e-14 X-RAY
2019-08-07 LYS B:19 B:32 159.0 0.795 H -55.4 -43.9 65.0 0.325 0.47 A:O94244:0.47
HOH
7.142
N
O
4psw 3 V8PGJ1 100.0 8e-12 X-RAY
2014-07-09 LYS C:25 C:33 177.0 0.885 H -76.6 -48.7 119.0 0.595 0.29 B:P39984:0.29
HOH
5.390
O
O
3c9c 2 P84040 100.0 1e-11 X-RAY
2008-05-13 LYS B:17 B:31 203.0 1.0 360.0 14.2 173.0 0.865 0.135 A:Q24572:0.15
3oa6 4 ? 100.0 2e-08 X-RAY
2010-08-18 LYS G:23 NA:NA DO NA DO DO DO NA NA NA
2xyi 2 P84040 100.0 8e-06 X-RAY
2011-05-04 LYS B:6 B:31 154.0 0.77 H -48.6 -47.5 60.0 0.3 0.47 A:Q24572:0.47
HOH
6.707
O
O
5w0v 2 ? 94.44 0.0007 X-RAY
2017-11-01 LYS C:31 NA:NA DO NA DO DO DO NA NA NA
LYS D:31 NA:NA DO NA DO DO DO NA NA NA
3cfs 2 P62805 100.0 1.0 X-RAY
2008-06-10 LYS B:5 E:31 127.0 0.635 H -62.8 -44.0 72.0 0.36 0.275 A:Q16576:0.275
HOH
6.890
O
O
3cfv 2 P62805 100.0 1.0 X-RAY
2008-06-10 LYS B:8 E:31 96.0 0.48 H -67.1 -47.4 39.0 0.195 0.285 A:Q16576:0.285
HOH
5.777
CB
O
LYS D:8 F:31 119.0 0.595 S -87.6 -56.7 NA NA NA

AlphaFold DB

Entity Residue Monomer View
ID Entity Uniprot Identity Evalue Name Label Auth ASA rASA SS φ ψ
af-p62805-f1 1 P62805 100.0 2e-68 LYS A:32 A:32 108.0 0.54 H -53.1 -41.0
af-q99525-f1 1 Q99525 85.0 1e-40 LYS A:32 A:32 119.0 0.595 H -55.4 -31.2