Variant

Genome Chromosome Position VCF ID Ref Alt mRNA Change mRNA Info
GRCh37 chr6 26027387 . T A CCDS4572.1:NM_003544.2:c.94Aaa>Taa_NP_003535.1:p.32K>* Homo sapiens histone cluster 1 H4 family member b (HIST1H4B), 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'