Variant

Genome Chromosome Position VCF ID Ref Alt mRNA Change mRNA Info
GRCh37 chr6 27799151 . T A CCDS4631.1:NM_003541.2:c.155tAc>tTc_NP_003532.1:p.52Y>F Homo sapiens histone cluster 1 H4 family member k (HIST1H4K), 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 TYR D:54 B:51 11.0 0.048 H -51.3 -48.4 11.0 0.048 0.0 DA
DC
DC
DG
DA
8.595
5.946
4.185
9.710
9.167
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
OP2
OP2
TYR H:54 F:51 15.0 0.065 H -17.4 -65.0 15.0 0.065 0.0 DC
DA
DC
DG
DT
9.074
9.312
6.479
4.774
8.242
CG
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR L:54 L:51 11.0 0.048 H -39.0 -50.4 11.0 0.048 0.0 DA
DC
DA
DC
DG
DT
9.687
9.496
8.795
6.029
4.364
8.229
CD1
CB
CE2
OH
OH
OH
O3'
OP2
O3'
C3'
OP2
C7
TYR P:54 P:51 18.0 0.078 H -48.3 -42.7 18.0 0.078 0.0 DA
DC
DC
DG
DA
9.332
6.496
4.618
9.484
8.556
CE2
OH
OH
OH
CD1
O3'
O3'
OP2
N7
OP2
1eqz 5 P62801 100.0 4e-68 X-RAY
2000-04-17 TYR F:52 D:51 17.0 0.074 H -59.6 -49.9 17.0 0.074 0.0 DA
DT
DT
DG
DA
DA
K
HOH
8.788
9.879
9.075
5.963
4.430
9.487
6.852
2.392
CD1
CE2
CE2
OH
OH
OH
OH
OH
OP2
C7
O3'
C3'
OP2
OP2
K
O
TYR J:52 H:51 25.0 0.109 H -59.7 -48.7 25.0 0.109 0.0 DC
DT
DG
DA
DT
HOH
9.430
6.266
4.218
9.659
8.927
2.586
CE2
OH
OH
OH
CD1
OH
O3'
C3'
OP2
OP2
OP2
O
1f66 3 P62806 100.0 4e-68 X-RAY
2000-11-27 TYR D:52 B:51 20.0 0.087 H -61.8 -46.0 20.0 0.087 0.0 DA
DT
DT
DG
DA
DA
HOH
9.195
9.866
9.340
6.071
4.460
9.670
2.445
CD1
CE2
CE2
OH
OH
OH
OH
OP2
C7
O3'
C3'
OP2
OP2
O
TYR H:52 F:251 17.0 0.074 H -59.4 -46.7 17.0 0.074 0.0 DC
DT
DG
DA
DT
HOH
8.934
6.449
4.581
9.931
8.885
2.676
CE2
OH
OH
OH
CD1
OH
O3'
C3'
OP2
OP2
OP2
O
1hq3 4 P62801 100.0 4e-68 X-RAY
2001-01-24 TYR D:52 D:51 25.0 0.109 H -63.0 -47.6 25.0 0.109 0.0 CL
HOH
5.163
3.368
OH
CB
CL
O
TYR H:52 H:51 17.0 0.074 H -59.9 -46.3 17.0 0.074 0.0 CL
CL
HOH
5.308
6.934
2.392
OH
CB
OH
CL
CL
O
1tzy 4 P62801 100.0 4e-68 X-RAY
2004-08-03 TYR D:52 D:51 23.0 0.1 H -63.5 -47.8 23.0 0.1 0.0 CL
HOH
5.189
2.782
OH
OH
CL
O
TYR H:52 H:51 17.0 0.074 H -66.2 -45.3 17.0 0.074 0.0 CL
CL
HOH
5.133
6.803
2.752
OH
CB
OH
CL
CL
O
1u35 3 Q5T006 100.0 4e-68 X-RAY
2005-09-27 TYR D:52 B:51 13.0 0.057 H -47.7 -55.9 13.0 0.057 0.0 DA
DT
DT
DG
DA
DA
HOH
8.894
9.962
9.685
6.274
4.698
9.547
2.759
CD1
OH
CE2
OH
OH
OH
OH
OP2
C7
O3'
C3'
OP2
OP2
O
TYR H:52 F:251 19.0 0.083 H -44.4 -47.3 19.0 0.083 0.0 DT
DG
DA
DA
DA
DT
HOH
9.596
6.007
4.500
9.488
8.957
9.730
3.793
CE1
OH
OH
OH
CD2
CE1
CB
O3'
C3'
OP2
OP2
OP2
C7
O
2aro 4 P62801 100.0 4e-68 X-RAY
2005-08-30 TYR D:52 D:51 23.0 0.1 H -60.6 -44.8 23.0 0.1 0.0 PO4
CL
HOH
9.687
5.153
2.775
OH
OH
OH
O2
CL
O
TYR H:52 H:51 13.0 0.057 H -60.9 -49.8 13.0 0.057 0.0 CL
CL
HOH
5.186
3.764
2.641
OH
CB
OH
CL
CL
O
2cv5 3 P62805 100.0 4e-68 X-RAY
2005-06-28 TYR D:52 B:51 16.0 0.07 H -57.9 -45.0 16.0 0.07 0.0 DA
DT
DT
DG
DA
DA
HOH
9.086
9.887
9.576
6.445
4.686
9.563
3.688
CD1
CE2
CE2
OH
OH
OH
CB
OP2
C7
O3'
C3'
OP2
OP2
O
TYR H:52 F:51 29.0 0.126 H -56.0 -51.2 29.0 0.126 0.0 DC
DT
DG
DA
DT
HOH
9.371
6.423
4.587
9.805
8.648
2.912
CE2
OH
OH
OH
CD1
OH
O3'
C3'
OP2
N7
OP2
O
2f8n 3 P62799 100.0 4e-68 X-RAY
2006-05-23 TYR D:52 B:51 15.0 0.065 H -45.9 -60.6 15.0 0.065 0.0 DA
DT
DG
DA
DA
HOH
8.616
9.511
5.843
4.129
9.273
6.406
CD1
CE2
OH
OH
OH
OH
OP2
O3'
C3'
OP2
OP2
O
TYR G:52 F:251 24.0 0.104 H -50.8 -60.4 24.0 0.104 0.0 DT
DG
DA
DA
DA
DT
HOH
9.854
5.929
4.399
9.496
8.846
9.752
3.545
CE1
OH
OH
OH
CG
CE1
CB
O3'
C3'
OP2
OP2
OP2
C7
O
3nqu 2 P62805 100.0 4e-68 X-RAY
2010-08-25 TYR B:52 B:51 32.0 0.139 H -44.2 -63.7 32.0 0.139 0.0 SO4
HOH
4.654
3.218
OH
CB
O3
O
3r45 2 P62805 100.0 4e-68 X-RAY
2011-04-06 TYR B:52 B:51 29.0 0.126 H -65.2 -50.2 29.0 0.126 0.0 SO4
SO4
SO4
GOL
HOH
9.936
4.529
6.947
5.823
4.465
CE1
OH
CD1
OH
CB
O2
O3
O3
C3
O
4hga 3 P62805 100.0 4e-68 X-RAY
2012-11-07 TYR C:52 C:51 24.0 0.104 H -62.4 -57.5 24.0 0.104 0.0 HOH
6.977
CE1
O
4kgc 2 P62799 100.0 4e-68 X-RAY
2014-03-26 TYR B:52 B:51 14.0 0.061 H -66.1 -47.5 14.0 0.061 0.0 DA
DT
DT
DG
DA
DA
8.940
9.952
8.728
6.199
4.534
9.492
CD1
CE2
CE2
OH
OH
OH
OP2
C7
O3'
C3'
OP2
OP2
TYR F:52 F:51 16.0 0.07 H -59.8 -48.1 16.0 0.07 0.0 DT
DG
DA
DA
DA
DT
9.393
6.326
4.588
9.693
8.864
9.852
CE1
OH
OH
OH
CD2
OH
O3'
C3'
OP2
N7
OP2
C7
4ld9 2 P62799 100.0 4e-68 X-RAY
2013-08-14 TYR B:52 B:51 16.0 0.07 H -69.2 -32.8 16.0 0.07 0.0 DA
DC
DC
DC
DG
8.861
9.145
6.474
4.601
9.432
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
O6
TYR F:52 F:51 24.0 0.104 H -59.3 -38.2 24.0 0.104 0.0 DA
DC
DG
DT
DC
8.709
5.960
4.155
8.455
8.893
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
C7
OP2
4z2m 3 P62805 100.0 4e-68 X-RAY
2016-03-09 TYR C:52 H:51 32.0 0.139 H -70.3 -38.9 16.0 0.07 0.069 A:Q9Y5B9:0.07
TYR E:52 J:51 31.0 0.135 H -57.2 -47.3 31.0 0.135 0.0
4zux 2 P62799 100.0 4e-68 X-RAY
2016-02-24 TYR B:52 B:51 21.0 0.091 H -56.1 -37.7 21.0 0.091 0.0 DC
DA
DC
DG
DT
9.096
9.258
6.407
4.906
8.572
CD1
OH
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR F:52 F:51 17.0 0.074 H -50.6 -52.9 17.0 0.074 0.0 DC
DC
DC
DG
DA
9.178
5.708
4.285
9.902
8.672
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
N7
OP2
TYR L:52 L:51 21.0 0.091 H -55.8 -37.7 NA NA NA
TYR P:52 P:51 19.0 0.083 H -55.8 -37.5 NA NA NA
5c3i 3 P62805 100.0 4e-68 X-RAY
2015-07-29 TYR C:52 C:51 30.0 0.13 H -57.3 -51.5 NA NA NA
TYR G:52 G:51 25.0 0.109 H -56.2 -55.3 NA NA NA
TYR K:52 K:51 34.0 0.148 H -61.9 -49.4 6.0 0.026 0.122 L:P49736:0.122
TYR O:52 O:51 28.0 0.122 H -58.6 -52.6 NA NA NA
TYR S:52 S:51 42.0 0.183 H -57.4 -55.0 NA NA NA
TYR W:52 W:51 32.0 0.139 H -53.6 -55.1 NA NA NA
5e5a 3 P62799 100.0 4e-68 X-RAY
2016-02-03 TYR D:52 B:51 13.0 0.057 H -61.2 -41.8 13.0 0.057 0.0 DA
DT
DT
DG
DA
DA
HOH
9.046
9.810
9.420
6.277
4.519
9.493
2.470
CD1
OH
CE2
OH
OH
OH
OH
OP2
C7
O3'
C3'
OP2
OP2
O
TYR H:52 F:51 18.0 0.078 H -61.6 -39.2 18.0 0.078 0.0 DC
DT
DG
DA
DT
HOH
9.036
6.150
4.315
9.692
8.987
3.596
CE2
OH
OH
OH
CD1
N
O3'
C3'
OP2
OP2
OP2
O
5kgf 2 P62799 100.0 4e-68 EM
2016-07-27 TYR B:52 B:51 22.0 0.096 H -54.5 -35.8 22.0 0.096 0.0 DC
DA
DC
DG
DT
8.095
9.706
7.177
5.291
7.810
CE1
CE2
OH
OH
OH
OP2
O3'
C2'
OP2
C7
TYR F:52 F:51 21.0 0.091 H -54.5 -35.8 21.0 0.091 0.0 DC
DC
DC
DG
DA
9.345
6.562
4.814
9.921
9.279
CE2
OH
OH
OH
CZ
O3'
C3'
OP2
N7
OP2
5o9g 2 P62799 100.0 4e-68 EM
2017-10-11 TYR B:52 B:51 57.0 0.248 H -69.7 -28.5 57.0 0.248 0.0 DA
DC
DG
DA
DC
DG
9.506
7.422
8.208
9.397
6.933
7.938
CE1
OH
OH
OH
OH
CE2
O3'
OP2
OP2
O3'
OP2
OP2
TYR F:52 F:51 48.0 0.209 H -67.4 -24.4 48.0 0.209 0.0 DC
DA
DA
DC
8.021
9.848
7.768
7.780
CE1
OH
OH
OH
C5'
O3'
OP2
OP2
5omx 4 P62799 100.0 4e-68 X-RAY
2017-11-15 TYR D:52 B:51 22.0 0.096 H -58.8 -41.7 22.0 0.096 0.0 DT
DC
DT
DG
DA
HOH
8.830
9.147
6.325
4.428
9.460
3.278
CD1
CE2
OH
OH
OH
CB
OP2
O3'
C3'
OP2
OP2
O
TYR H:52 F:51 26.0 0.113 H -58.1 -41.1 26.0 0.113 0.0 DC
DT
DG
DA
DT
HOH
9.496
6.543
4.603
9.695
9.074
2.741
CE2
OH
OH
OH
CD1
OH
O3'
C3'
OP2
OP2
OP2
O
5ong 4 P62799 100.0 4e-68 X-RAY
2017-11-22 TYR D:52 B:51 15.0 0.065 H -66.7 -41.0 15.0 0.065 0.0 DT
DC
DT
DG
DA
HOH
8.567
9.128
6.171
4.313
9.594
6.694
CD1
CE2
OH
OH
OH
OH
OP2
O3'
C3'
OP2
N7
O
TYR H:52 F:51 18.0 0.078 H -55.9 -58.4 18.0 0.078 0.0 DC
DT
DG
DA
DT
HOH
9.440
6.177
4.290
9.446
9.240
3.628
CE2
OH
OH
OH
CD1
CB
O3'
O3'
OP2
N7
OP2
O
5onw 4 P62799 100.0 4e-68 X-RAY
2017-11-22 TYR D:52 B:51 22.0 0.096 H -75.4 -43.7 22.0 0.096 0.0 DT
DC
DT
DG
DA
8.916
9.390
6.434
4.435
9.495
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
N7
TYR H:52 F:51 24.0 0.104 H -51.7 -57.1 24.0 0.104 0.0 DC
DT
DG
DA
DT
HOH
9.515
6.368
4.476
9.420
8.768
3.741
CE2
OH
OH
OH
CD1
CB
O3'
C3'
OP2
N7
OP2
O
5x0x 2 P62799 100.0 4e-68 EM
2017-04-19 TYR B:52 B:51 26.0 0.113 H -54.2 -26.9 26.0 0.113 0.0 DC
DC
DC
DA
9.394
6.526
4.915
8.771
CE2
OH
OH
CD2
O3'
C3'
OP2
OP2
TYR F:52 F:51 27.0 0.117 H -54.2 -27.0 27.0 0.117 0.0 DC
DA
DC
DG
DT
8.982
9.095
6.759
4.874
8.244
CE2
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
5xf3 2 P62805 100.0 4e-68 X-RAY
2017-10-11 TYR B:52 B:51 13.0 0.057 H -61.1 -50.0 13.0 0.057 0.0 DA
DT
DG
DA
DA
8.978
9.040
6.174
4.611
9.606
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
N7
TYR F:52 F:51 16.0 0.07 H -63.4 -47.8 16.0 0.07 0.0 DT
DG
DA
DA
DA
DT
9.426
6.210
4.564
9.512
9.296
9.806
CE1
OH
OH
OH
CD2
CE1
O3'
C3'
OP2
OP2
OP2
C7
5xf4 2 P62805 100.0 4e-68 X-RAY
2017-10-11 TYR B:52 B:51 12.0 0.052 H -65.3 -51.4 12.0 0.052 0.0 DA
DT
DG
DA
DA
9.002
9.123
6.221
4.580
9.618
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
N7
TYR F:52 F:51 13.0 0.057 H -67.5 -39.9 13.0 0.057 0.0 DT
DG
DA
DA
DA
DT
9.467
6.183
4.353
9.611
9.276
9.837
CE1
OH
OH
OH
CD2
CE1
O3'
C3'
OP2
N7
OP2
C7
5xf5 2 P62805 100.0 4e-68 X-RAY
2017-10-11 TYR B:52 B:51 12.0 0.052 H -68.2 -40.3 12.0 0.052 0.0 DA
DT
DT
DG
DA
DA
8.870
9.902
9.029
5.985
4.469
9.544
CD1
OH
CE2
OH
OH
OH
OP2
C7
O3'
C3'
OP2
N7
TYR F:52 F:51 16.0 0.07 H -67.5 -40.6 16.0 0.07 0.0 DT
DG
DA
DA
DA
DT
9.413
6.232
4.647
9.574
9.090
9.717
CE1
OH
OH
OH
CD2
OH
O3'
C3'
OP2
N7
OP2
C7
6buz 2 P62805 100.0 4e-68 EM
2017-12-20 TYR B:52 B:52 23.0 0.1 H -66.5 -21.2 23.0 0.1 0.0 DC
DA
DC
DG
DT
8.562
8.684
6.476
4.595
8.401
CE1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR F:52 F:52 23.0 0.1 H -66.7 -21.1 23.0 0.1 0.0 DC
DC
DC
DG
DA
9.697
6.442
5.100
9.941
8.353
CE2
OH
OH
OH
CE1
O3'
C3'
OP2
N7
OP2
6e0c 2 P62805 100.0 4e-68 EM
2019-05-22 TYR B:52 B:51 19.0 0.083 H -75.3 -40.4 19.0 0.083 0.0 DA
DC
DG
DT
DC
8.879
6.476
4.556
8.043
8.826
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
C7
OP2
TYR F:52 F:51 23.0 0.1 H -69.7 -41.4 23.0 0.1 0.0 DA
DC
DC
DC
DG
8.983
9.002
6.447
4.605
9.669
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
OP2
6e0p 2 P62805 100.0 4e-68 EM
2019-05-22 TYR B:52 B:51 13.0 0.057 H -75.6 -42.8 13.0 0.057 0.0 DG
DA
DA
DA
DG
8.827
6.376
4.572
9.642
8.652
CE2
OH
OH
OH
CE1
O3'
C3'
OP2
N7
OP2
TYR F:52 F:51 14.0 0.061 H -75.7 -42.8 14.0 0.061 0.0 DA
DT
DT
DG
DA
DA
8.644
9.608
8.968
6.312
4.611
9.783
CE1
OH
CE2
OH
OH
OH
OP2
C7
O3'
C3'
OP2
N7
6ftx 2 P62799 100.0 4e-68 EM
2018-08-08 TYR B:52 B:51 50.0 0.217 H -59.2 -40.4 50.0 0.217 0.0 DC
DG
DC
DA
DC
DG
DT
8.246
9.417
9.479
9.091
6.576
4.420
8.002
CE2
CE2
OH
OH
OH
OH
OH
OP2
OP2
N4
O3'
C3'
OP2
C7
TYR F:52 F:51 77.0 0.335 H -67.5 -36.2 77.0 0.335 0.0 DC
DC
DC
DC
DG
9.336
7.187
7.936
8.274
9.787
CE2
CE2
CE2
OH
OH
O3'
OP2
OP2
OP2
OP2
6g0l 2 P62799 100.0 4e-68 EM
2018-08-22 TYR B:52 B:51 49.0 0.213 H -59.2 -40.5 49.0 0.213 0.0 DC
DG
DC
DA
DC
DG
DT
8.185
9.418
9.215
9.474
6.682
5.220
7.837
CE2
CE2
OH
OH
OH
OH
OH
OP2
OP2
N4
O3'
C2'
OP2
C7
TYR F:52 F:51 76.0 0.33 H -67.5 -36.2 76.0 0.33 0.0 DC
DC
DC
DA
DC
8.980
6.563
7.666
8.587
8.734
CE2
CE2
CD2
CE1
OH
O3'
OP2
OP2
OP2
OP2
6hts 6 P62805 100.0 4e-68 EM
2018-11-07 TYR J:52 J:51 24.0 0.104 H -67.4 -47.0 24.0 0.104 0.0 DA
DC
DG
DT
DC
8.602
6.241
4.111
7.519
8.506
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
C7
OP2
TYR N:52 N:51 26.0 0.113 H -65.5 -49.3 26.0 0.113 0.0 DA
DC
DC
DC
DG
8.885
8.510
5.447
4.487
9.754
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
OP2
6i84 5 P62799 100.0 4e-68 EM
2019-01-02 TYR F:52 O:51 19.0 0.083 H -55.6 -45.1 19.0 0.083 0.0 DC
DC
DG
DT
9.534
7.496
6.024
8.534
CB
OH
OH
OH
OP2
C3'
OP2
C7
TYR I:52 U:51 22.0 0.096 H -57.8 -48.9 22.0 0.096 0.0 DC
DC
DC
DG
DA
9.753
6.113
4.886
9.961
9.052
OH
OH
OH
OH
CD2
O3'
C3'
OP2
N7
OP2
6j99 2 P62799 100.0 4e-68 EM
2019-02-27 TYR B:52 B:51 26.0 0.113 H -59.8 -59.2 26.0 0.113 0.0 DA
DC
DG
DA
DC
DG
DT
9.701
8.155
9.515
8.819
6.754
5.916
8.256
OH
CE2
CE2
CE2
CE2
OH
OH
C3'
OP2
OP2
O3'
OP2
OP2
C7
TYR F:52 F:51 18.0 0.078 H -65.7 -51.0 18.0 0.078 0.0 DC
DC
DC
DG
DA
9.234
6.652
5.334
9.646
8.046
CE2
OH
OH
OH
CE1
O3'
C3'
OP2
N7
OP2
6kw3 1 P62799 100.0 4e-68 EM
2019-11-13 TYR A:52 B:51 25.0 0.109 H -71.2 -41.9 25.0 0.109 0.0 DC
DC
DC
9.324
6.614
5.386
CE2
OH
OH
O3'
C3'
OP2
TYR E:52 R:51 42.0 0.183 H -69.8 -20.8 42.0 0.183 0.0 DC
DA
DC
DG
DT
8.678
9.424
7.069
4.901
7.645
CE1
CE2
OH
OH
OH
OP2
O3'
O3'
OP2
C7
6kw4 2 P62799 100.0 4e-68 EM
2019-11-13 TYR B:52 B:51 21.0 0.091 T -67.4 -35.1 21.0 0.091 0.0 DC
DC
DC
DC
DC
9.066
6.109
4.716
9.982
9.535
CE2
OH
OH
OH
OH
O3'
C3'
OP2
N4
N4
TYR E:52 R:51 44.0 0.191 H -62.8 -40.9 44.0 0.191 0.0 DC
DC
DA
DC
DG
DT
8.161
9.686
8.826
6.469
5.028
6.391
CE1
OH
CE2
CE2
OH
OH
OP2
N4
O3'
OP2
OP2
C7
6kw5 13 P62799 100.0 4e-68 EM
2020-09-09 TYR N:52 W:51 37.0 0.161 H -69.8 -45.7 37.0 0.161 0.0 DC
DC
DG
DT
8.972
7.380
6.338
9.726
CE2
OH
OH
OH
OP2
C3'
OP2
C7
TYR R:52 S:51 28.0 0.122 H -72.7 -43.1 28.0 0.122 0.0 DC
DC
DC
DG
DA
9.161
6.580
4.853
9.485
9.066
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
N7
OP2
6l9z 2 P62805 100.0 4e-68 X-RAY
2021-02-17 TYR B:52 B:51 18.0 0.078 H -61.8 -40.3 18.0 0.078 0.0 DC
DA
DC
DG
DT
9.114
9.373
5.882
4.076
8.061
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR F:52 F:51 15.0 0.065 H -62.3 -49.9 15.0 0.065 0.0 DA
DC
DC
DG
DA
HOH
9.482
6.286
4.550
9.708
8.938
6.624
CE2
OH
OH
OH
CD1
CB
O3'
O3'
OP2
OP2
OP2
O
TYR L:52 L:51 15.0 0.065 H -67.4 -42.3 15.0 0.065 0.0 DA
DC
DC
DG
DA
HOH
9.561
6.193
4.257
9.466
9.040
2.522
CE2
OH
OH
OH
CD1
OH
O3'
O3'
OP2
OP2
OP2
O
TYR P:52 P:51 15.0 0.065 H -60.5 -46.3 15.0 0.065 0.0 DC
DA
DC
DG
DT
HOH
8.985
9.483
6.269
4.419
8.202
2.579
CD1
CE2
OH
OH
OH
OH
OP2
O3'
O3'
OP2
C7
O
6la2 2 P62805 100.0 4e-68 X-RAY
2021-02-17 TYR B:52 f:51 14.0 0.061 H -49.1 -57.7 14.0 0.061 0.0 DA
DC
DC
DG
DA
9.181
6.158
4.272
9.217
9.377
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
OP2
OP2
TYR F:52 j:51 15.0 0.065 H -50.0 -57.7 15.0 0.065 0.0 DC
DA
DC
DG
DT
9.191
9.118
6.204
4.250
8.125
CD1
CE2
OH
OH
OH
OP2
O3'
O3'
OP2
C7
TYR L:52 B:51 18.0 0.078 H -49.1 -58.0 18.0 0.078 0.0 DA
DC
DC
DG
DA
9.377
6.080
4.410
9.629
9.047
CE2
OH
OH
OH
CD1
O3'
O3'
OP2
OP2
OP2
TYR P:52 F:51 14.0 0.061 H -49.2 -58.0 14.0 0.061 0.0 DC
DA
DC
DG
DT
9.121
9.332
6.452
4.489
8.188
CD1
CE2
OH
OH
OH
OP2
O3'
O3'
OP2
C7
TYR V:52 L:51 15.0 0.065 H -48.8 -58.4 15.0 0.065 0.0 DA
DC
DC
DG
DA
9.546
6.051
4.119
9.371
9.052
CE2
OH
OH
OH
CD1
O3'
O3'
OP2
OP2
OP2
TYR Z:52 P:51 13.0 0.057 H -49.0 -58.0 13.0 0.057 0.0 DC
DA
DC
DG
DT
DA
DT
DT
9.310
8.900
6.237
4.485
8.253
9.816
8.698
8.128
CD1
CE2
OH
OH
OH
C
CB
C
OP2
O3'
C3'
OP2
C7
C5'
OP1
OP1
TYR FA:52 V:51 16.0 0.07 H -48.3 -58.4 16.0 0.07 0.0 DA
DC
DC
DG
DA
9.421
5.949
4.134
9.509
9.130
CE2
OH
OH
OH
CD1
O3'
O3'
OP2
OP2
OP2
TYR JA:52 Z:51 16.0 0.07 H -49.3 -57.8 16.0 0.07 0.0 DT
DC
DA
DC
DG
DT
9.492
9.482
9.305
6.438
4.444
8.326
C
CD1
CE2
OH
OH
OH
OP1
OP2
O3'
C3'
OP2
C7
6la8 2 P62805 100.0 4e-68 X-RAY
2020-10-07 TYR B:52 B:51 24.0 0.104 H -61.9 -44.6 24.0 0.104 0.0 DC
DA
DC
DG
DT
8.936
9.119
5.937
3.952
8.528
CD1
CE2
OH
OH
OH
OP2
O3'
O3'
OP2
C7
TYR F:52 F:51 18.0 0.078 H -62.6 -43.8 18.0 0.078 0.0 DA
DC
DC
DG
DA
9.122
5.873
4.224
9.109
9.089
CE2
OH
OH
OH
CD1
O3'
O3'
OP2
OP2
OP2
TYR L:52 L:51 23.0 0.1 H -62.0 -43.6 23.0 0.1 0.0 DC
DA
DC
DG
DT
9.175
9.210
5.823
4.216
8.083
CD1
CE2
OH
OH
OH
OP2
O3'
O3'
OP2
C7
TYR P:52 P:51 17.0 0.074 H -63.0 -43.4 17.0 0.074 0.0 DA
DC
DC
DG
DA
8.788
5.955
3.885
9.327
9.309
CE2
OH
OH
OH
CD1
O3'
O3'
OP2
OP2
OP2
6la9 2 P62805 100.0 4e-68 X-RAY
2020-10-07 TYR B:52 B:51 25.0 0.109 H -61.6 -46.1 25.0 0.109 0.0 DC
DA
DC
DG
DT
9.023
8.438
5.703
4.060
8.081
CD1
CE2
OH
OH
OH
OP2
O3'
O3'
OP2
C7
TYR F:52 F:51 19.0 0.083 H -62.6 -45.6 19.0 0.083 0.0 DA
DC
DC
DG
DA
8.554
6.121
4.222
9.569
9.155
CE2
OH
OH
OH
CD1
O3'
O3'
OP2
OP2
OP2
TYR L:52 L:51 26.0 0.113 H -61.7 -45.6 26.0 0.113 0.0 DC
DA
DC
DG
DT
8.988
9.036
5.837
4.025
8.519
CD1
CE2
OH
OH
OH
OP2
O3'
O3'
OP2
C7
TYR P:52 P:51 18.0 0.078 H -62.3 -45.3 18.0 0.078 0.0 DA
DC
DC
DG
DA
8.826
5.928
4.023
9.352
8.977
CE2
OH
OH
OH
CD1
O3'
O3'
OP2
OP2
OP2
6lab 2 P62805 100.0 4e-68 X-RAY
2021-02-17 TYR B:52 B:51 26.0 0.113 H -63.4 -37.3 26.0 0.113 0.0 DC
DA
DC
DG
DT
9.626
9.177
5.270
3.988
8.105
CG
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR F:52 F:51 19.0 0.083 H -59.7 -43.4 19.0 0.083 0.0 DA
DC
DG
DT
DC
9.102
6.221
4.353
8.049
9.124
CE2
OH
OH
OH
CD1
O3'
O3'
OP2
C7
OP2
TYR L:52 L:51 21.0 0.091 H -68.2 -28.8 21.0 0.091 0.0 DC
DA
DC
DG
DT
9.259
9.362
5.758
3.809
7.753
CD1
CE2
OH
OH
OH
OP2
O3'
O3'
OP2
C7
TYR P:52 P:51 21.0 0.091 H -63.8 -45.8 21.0 0.091 0.0 DA
DC
DG
DT
DC
9.551
6.505
4.570
8.136
9.205
CE2
OH
OH
OH
CD1
O3'
O3'
OP2
C7
OP2
6ler 2 P62805 100.0 4e-68 X-RAY
2021-03-03 TYR B:52 L:51 22.0 0.096 H -59.8 -41.1 NA NA NA
TYR F:52 P:51 17.0 0.074 H -70.9 -43.1 NA NA NA
TYR L:52 B:51 26.0 0.113 H -68.6 -41.4 26.0 0.113 0.0 DC
DA
DC
DG
DT
9.008
9.460
6.128
4.410
8.181
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR P:52 F:51 16.0 0.07 H -56.5 -49.1 16.0 0.07 0.0 DA
DC
DC
DG
DA
9.207
6.157
4.311
9.233
9.016
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
OP2
OP2
6ltj 2 P62799 100.0 4e-68 EM
2020-02-12 TYR B:52 B:51 6.0 0.026 H -60.7 -48.0 6.0 0.026 0.0 DC
DC
DC
DG
DA
8.412
5.950
4.225
9.736
8.942
OH
OH
OH
OH
CD2
O3'
O3'
OP2
N7
OP2
TYR F:52 F:51 60.0 0.261 H -78.5 -41.6 60.0 0.261 0.0 DA
DC
DG
DC
DG
9.377
7.114
7.086
7.772
8.297
CE2
CE2
OH
CE1
CD1
O3'
OP2
OP2
OP2
OP2
6m3v 2 P62805 100.0 4e-68 X-RAY
2020-10-07 TYR B:52 B:51 8.0 0.035 H -44.5 -55.9 8.0 0.035 0.0 DA
DC
DC
DG
DA
8.946
5.814
4.018
9.390
9.781
CE2
OH
OH
OH
CG
O3'
O3'
OP2
OP2
OP2
TYR F:52 F:51 17.0 0.074 H -44.9 -56.4 17.0 0.074 0.0 DC
DA
DC
DG
DT
9.216
9.635
6.107
4.374
8.390
CD1
CE2
OH
OH
OH
OP2
O3'
O3'
OP2
C7
TYR L:52 L:51 13.0 0.057 H -44.8 -56.2 13.0 0.057 0.0 DC
DA
DC
DG
DT
8.857
9.072
5.903
4.070
8.269
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR P:52 P:51 16.0 0.07 H -45.4 -56.0 16.0 0.07 0.0 DA
DC
DC
DG
DA
9.027
5.994
4.056
9.153
9.223
CE2
OH
OH
OH
CD1
O3'
O3'
OP2
OP2
OP2
6m44 2 P62805 100.0 4e-68 X-RAY
2020-10-07 TYR B:52 B:51 13.0 0.057 H -45.2 -48.6 13.0 0.057 0.0 DA
DC
DC
DG
DA
8.643
6.073
4.158
9.170
9.167
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
N7
OP2
TYR F:52 F:51 14.0 0.061 H -45.1 -48.1 14.0 0.061 0.0 DC
DA
DC
DG
DT
9.024
8.912
5.818
3.873
7.931
CD1
CE2
OH
OH
OH
OP2
O3'
O3'
OP2
C7
TYR L:52 L:51 13.0 0.057 H -45.5 -48.6 13.0 0.057 0.0 DA
DC
DA
DC
DG
DT
9.784
9.158
8.781
5.944
4.255
8.531
CD1
CB
CE2
OH
OH
OH
O3'
OP2
O3'
C3'
OP2
C7
TYR P:52 P:51 17.0 0.074 H -45.2 -49.1 17.0 0.074 0.0 DA
DC
DC
DG
DA
8.599
6.243
4.429
9.266
9.149
CE2
CE2
OH
OH
CD1
O3'
OP2
OP2
OP2
OP2
6m4d 2 P62805 100.0 4e-68 EM
2020-09-23 TYR B:52 B:51 28.0 0.122 H -49.1 -46.3 28.0 0.122 0.0 DC
DC
DC
DG
DA
DA
9.280
6.909
5.781
9.348
9.520
7.501
CE2
OH
OH
OH
CE1
CD1
O3'
C3'
OP1
OP2
OP1
OP2
TYR F:52 F:51 25.0 0.109 H -49.1 -46.3 25.0 0.109 0.0 DA
DC
DA
DC
DG
DT
8.771
7.761
9.124
6.601
4.855
8.447
CE1
CD1
CE2
OH
OH
OH
OP2
OP2
O3'
C2'
OP2
C7
6m4g 4 P62805 100.0 4e-68 EM
2020-09-23 TYR D:52 B:51 22.0 0.096 H -66.9 -39.4 22.0 0.096 0.0 DA
DC
DG
DT
DC
9.220
6.387
4.382
8.657
8.548
CE2
OH
OH
OH
CD2
O3'
C3'
OP2
C7
OP2
TYR G:52 F:51 21.0 0.091 H -67.0 -39.4 21.0 0.091 0.0 DA
DC
DC
DC
DG
8.652
8.987
6.346
4.384
9.714
CD2
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
OP2
6m4h 4 P62805 100.0 4e-68 EM
2020-09-23 TYR D:52 B:51 21.0 0.091 H -66.8 -39.4 21.0 0.091 0.0 DA
DC
DG
DT
DC
8.209
5.920
4.016
7.979
8.541
CE2
OH
OH
OH
CD2
O3'
C3'
OP2
C7
OP2
TYR H:52 F:51 19.0 0.083 H -67.0 -39.3 19.0 0.083 0.0 DA
DC
DC
DC
DG
8.959
8.806
6.066
3.916
9.254
CD2
CE2
OH
OH
OH
OP2
O3'
O3'
OP2
OP2
6ne3 2 P62799 100.0 4e-68 EM
2019-07-17 TYR B:52 B:51 13.0 0.057 H -70.4 -37.6 13.0 0.057 0.0 DC
DG
DT
DA
DC
9.240
9.204
6.286
4.705
9.784
CG
OH
OH
OH
OH
OP2
O3'
C3'
OP2
C5
TYR F:52 F:51 31.0 0.135 H -71.6 -52.7 31.0 0.135 0.0 DC
DG
DC
DA
9.470
6.062
4.714
9.029
CE2
OH
OH
CD2
O3'
C3'
OP2
OP2
6nzo 2 P62799 100.0 4e-68 EM
2019-08-28 TYR B:52 B:51 21.0 0.091 H -65.2 -47.7 21.0 0.091 0.0 DC
DC
DC
DG
DA
8.836
5.940
4.522
9.710
8.582
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
OP2
OP2
TYR F:52 F:51 22.0 0.096 H -59.3 -37.4 22.0 0.096 0.0 DC
DA
DC
DG
DT
8.705
9.179
6.718
5.067
8.346
CE1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
6o1d 2 P62805 100.0 4e-68 EM
2019-05-22 TYR B:52 B:51 23.0 0.1 H -75.0 -8.4 23.0 0.1 0.0 DG
DA
DA
DA
DG
9.204
6.684
4.511
9.947
8.771
CE2
OH
OH
OH
CE1
O3'
C3'
OP2
N7
OP2
TYR F:52 F:51 23.0 0.1 H -78.3 -12.8 23.0 0.1 0.0 DA
DT
DG
DA
DA
8.766
8.795
6.368
4.126
9.802
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
OP2
6o22 5 P62799 100.0 4e-68 NMR
SOLUTION SCATTERING
2019-07-31 TYR F:52 F:51 47.0 0.204 H -68.8 -23.8 47.0 0.204 0.0
6o96 2 P62799 100.0 4e-68 EM
2019-04-24 TYR B:52 B:51 11.0 0.048 H -67.0 -37.9 11.0 0.048 0.0 DC
DC
DC
DG
DA
9.021
6.279
4.362
9.428
8.874
CE2
OH
OH
OH
CD2
O3'
C3'
OP2
OP2
OP2
TYR F:52 F:51 13.0 0.057 H -69.7 -40.7 13.0 0.057 0.0 DC
DA
DC
DG
DT
8.847
9.112
6.341
4.325
8.226
CG
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
6om3 2 P62799 100.0 4e-68 X-RAY
2019-07-10 TYR B:52 B:51 14.0 0.061 H -66.6 -42.1 14.0 0.061 0.0 DC
DC
DC
DG
DA
9.143
6.398
4.547
9.586
8.705
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
OP2
OP2
TYR F:52 F:51 62.0 0.27 H -68.8 -48.2 62.0 0.27 0.0 DC
DA
DC
DG
DT
8.305
8.818
6.514
4.597
8.030
CD2
CE1
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR N:52 N:51 22.0 0.096 H -50.0 -66.1 NA NA NA
TYR R:52 R:51 20.0 0.087 H -66.3 -47.8 NA NA NA
6pa7 2 P62799 100.0 4e-68 EM
2020-06-17 TYR B:52 B:51 12.0 0.052 H -65.6 -44.3 12.0 0.052 0.0 DC
DC
DC
DG
DA
9.116
6.766
5.374
8.867
8.350
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
OP2
OP2
TYR F:52 F:51 13.0 0.057 H -67.6 -44.0 13.0 0.057 0.0 DC
DA
DC
DG
DT
8.380
8.848
6.198
4.304
8.301
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
6pwv 5 P62799 100.0 4e-68 EM
2019-12-18 TYR E:52 H:51 38.0 0.165 H -56.3 -62.1 38.0 0.165 0.0 DC
DC
DC
DA
7.788
5.650
5.367
8.939
OH
OH
OH
CD2
O3'
O5'
OP2
OP2
TYR I:52 L:51 37.0 0.161 H -56.3 -62.1 37.0 0.161 0.0 DC
DG
DA
DC
DG
DT
9.338
9.454
7.529
5.593
4.815
8.437
CD2
CD2
OH
OH
OH
OH
OP2
OP2
O3'
O5'
OP2
C7
6pww 5 P62799 100.0 4e-68 EM
2019-12-18 TYR E:52 H:51 43.0 0.187 H -50.9 -63.4 43.0 0.187 0.0 DC
DC
DC
DG
DA
DC
7.889
5.770
4.823
9.317
8.488
9.942
OH
OH
OH
OH
CD2
CE2
O3'
C3'
OP2
O6
OP2
OP2
TYR M:52 L:51 44.0 0.191 H -50.9 -63.3 44.0 0.191 0.0 DC
DG
DA
DC
DG
DT
8.939
9.514
7.978
5.894
4.672
7.723
CD2
CE2
OH
OH
OH
OH
OP2
OP2
O3'
O5'
OP2
C7
6pwx 3 P62799 100.0 4e-68 EM
2019-12-18 TYR C:52 H:51 35.0 0.152 H -53.4 -67.8 35.0 0.152 0.0 DC
DC
DC
DG
DC
DA
8.664
6.161
4.477
9.347
9.970
8.617
OH
OH
OH
OH
OH
CG
O3'
C3'
OP2
N7
N4
OP2
TYR K:52 L:51 36.0 0.157 H -53.4 -67.8 36.0 0.157 0.0 DC
DA
DC
DG
DT
8.968
8.730
6.055
4.208
7.464
CD2
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
6px1 2 P62799 100.0 4e-68 EM
2019-08-28 TYR B:52 B:51 19.0 0.083 H -72.7 -40.2 19.0 0.083 0.0 DC
DC
DC
DA
9.059
6.230
4.869
8.941
OH
OH
OH
CD1
O3'
C3'
OP2
OP2
TYR F:52 F:51 20.0 0.087 H -73.4 -40.6 20.0 0.087 0.0 DC
DA
DC
DG
DT
8.877
9.004
6.419
4.915
8.392
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
6px3 2 P62799 100.0 4e-68 EM
2019-08-28 TYR B:52 B:51 21.0 0.091 H -65.1 -47.7 21.0 0.091 0.0 DC
DC
DC
DG
DA
8.836
5.940
4.523
9.710
8.582
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
OP2
OP2
TYR F:52 F:51 22.0 0.096 H -59.3 -37.4 22.0 0.096 0.0 DC
DA
DC
DG
DT
8.705
9.179
6.717
5.067
8.345
CE1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
6r0c 2 P62805 100.0 4e-68 EM
2019-09-25 TYR B:52 B:51 16.0 0.07 H -59.4 -61.1 16.0 0.07 0.0 DG
DG
DC
DC
DT
8.364
9.557
7.048
5.125
8.273
CE1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR F:52 F:51 22.0 0.096 H -60.7 -55.9 22.0 0.096 0.0 DT
DT
DG
DT
DA
9.852
7.604
5.509
8.633
9.039
CE2
OH
OH
OH
CE2
O3'
C3'
OP2
C7
OP2
6r8y 5 P62805 100.0 4e-68 EM
2019-06-12 TYR F:52 F:52 26.0 0.113 H -55.2 -52.9 26.0 0.113 0.0 DT
DG
DA
DA
DC
DA
DT
8.771
6.203
5.068
8.926
9.327
9.293
8.474
HE2
HH
HH
HH
HH
HH
HH
O3'
H2''
OP2
H62
H41
OP2
H72
6rny 2 P62805 100.0 4e-68 EM
2019-09-25 TYR B:52 B:51 19.0 0.083 H -66.0 -29.9 19.0 0.083 0.0 DA
DG
DC
DG
DC
DC
DT
9.541
7.705
9.935
9.711
7.566
5.650
7.902
CE1
CE1
OH
CE2
OH
OH
OH
C3'
OP2
N4
O3'
C3'
OP2
C7
TYR F:52 F:51 20.0 0.087 H -65.9 -29.9 20.0 0.087 0.0 DT
DG
DT
DT
DA
8.521
7.622
8.428
9.450
8.010
CE2
OH
OH
CE1
CE1
OP2
OP2
C7
OP2
OP2
6ryr 2 P62799 100.0 4e-68 EM
2020-07-15 TYR B:52 B:51 21.0 0.091 H -85.9 -47.5 21.0 0.091 0.0 DC
DA
DC
DG
DT
8.952
9.126
6.490
4.716
8.108
CE1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR F:52 F:51 21.0 0.091 H -69.1 -45.2 21.0 0.091 0.0 DC
DC
DC
DG
DA
9.099
6.459
4.531
9.617
8.927
CE1
OH
OH
OH
CG
O3'
O3'
OP2
N7
OP2
6ryu 2 P62799 100.0 4e-68 EM
2020-07-15 TYR B:52 B:51 13.0 0.057 T -73.8 -24.1 13.0 0.057 0.0 DC
DA
DC
DG
DT
8.727
9.182
6.980
5.407
8.792
CD1
CE2
CE2
OH
OH
OP2
O3'
O5'
OP2
C7
TYR F:52 F:51 13.0 0.057 T -73.8 -24.1 13.0 0.057 0.0 DC
DC
DC
DA
9.129
6.414
4.996
8.737
CE2
CE2
OH
CD1
O3'
C5'
OP2
OP2
6se0 2 P62805 100.0 4e-68 EM
2019-08-14 TYR B:52 B:51 33.0 0.143 H -71.9 -40.4 33.0 0.143 0.0 DC
DG
DA
DC
DG
DT
8.213
9.679
9.076
6.688
5.486
8.390
CE1
CE2
CE2
CE2
OH
OH
OP2
OP2
O3'
OP2
OP2
C7
TYR F:52 F:51 42.0 0.183 H -63.4 -43.0 42.0 0.183 0.0 DC
DC
DC
DA
9.110
6.851
5.579
8.220
CE2
CE2
OH
CE1
O3'
OP2
OP2
OP2
6se6 2 P62805 100.0 4e-68 EM
2019-08-14 TYR B:52 B:51 25.0 0.109 H -65.7 -27.1 25.0 0.109 0.0 DC
DA
DC
DG
DT
9.128
9.192
6.562
4.470
8.398
CD2
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR F:52 F:51 27.0 0.117 H -68.4 -27.0 27.0 0.117 0.0 DC
DC
DC
DA
9.598
6.913
5.260
9.237
CE2
OH
OH
CD1
O3'
C3'
OP2
OP2
6see 2 P62805 100.0 4e-68 EM
2019-08-14 TYR B:52 B:51 13.0 0.057 H -66.1 -19.1 13.0 0.057 0.0 DC
DC
DG
DA
7.162
5.256
9.665
8.463
OH
OH
OH
CE2
C3'
OP2
OP2
OP2
TYR F:52 F:51 23.0 0.1 H -67.5 -22.9 23.0 0.1 0.0 DC
DA
DC
DG
DT
8.945
9.164
6.549
4.778
8.867
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
6sef 2 P62805 100.0 4e-68 EM
2019-08-14 TYR B:52 B:51 21.0 0.091 H -61.3 -32.6 21.0 0.091 0.0 DC
DA
DC
DG
DT
8.917
9.023
6.347
4.548
8.227
CD2
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR F:52 F:51 26.0 0.113 G -64.7 -1.9 26.0 0.113 0.0 DC
DC
DC
DA
9.183
6.462
5.083
8.723
CE2
OH
OH
CE1
O3'
C3'
OP2
OP2
6seg 2 P62805 100.0 4e-68 EM
2019-08-14 TYR B:52 B:51 14.0 0.061 H -67.1 -37.0 14.0 0.061 0.0 DC
DA
DC
DG
DT
8.601
9.054
6.333
4.369
7.936
CD2
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR F:52 F:51 25.0 0.109 H -68.0 -27.0 25.0 0.109 0.0 DC
DC
DC
DG
DA
8.809
6.012
4.217
9.575
8.685
CE2
OH
OH
OH
CD2
O3'
C3'
OP2
OP2
OP2
6t79 2 P62805 100.0 4e-68 EM
2020-04-29 TYR B:52 B:51 16.0 0.07 H -75.7 -48.5 16.0 0.07 0.0 DT
DA
DA
DA
DC
9.225
8.282
5.788
3.979
9.553
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C5
TYR F:52 F:51 29.0 0.126 H -74.4 -40.4 29.0 0.126 0.0 DT
DT
DT
DA
DA
8.569
5.786
4.248
9.556
9.528
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
OP2
OP2
6t7a 2 P62805 100.0 4e-68 EM
2020-04-29 TYR B:52 B:51 21.0 0.091 H -73.3 -47.2 21.0 0.091 0.0 DT
DA
DA
DA
9.119
8.794
5.907
4.423
CD2
OH
OH
OH
OP2
O3'
C3'
OP2
TYR F:52 F:51 28.0 0.122 H -72.6 -40.0 28.0 0.122 0.0 DT
DT
DT
DA
DA
8.433
6.033
4.095
9.577
9.304
OH
OH
OH
OH
CD1
O3'
C3'
OP2
N7
OP2
6t7b 2 P62805 100.0 4e-68 EM
2020-04-29 TYR B:52 B:51 58.0 NA H -73.2 -47.2 58.0 NA NA DA
8.855
N
OP1
TYR F:52 F:51 61.0 NA H -72.7 -39.9 61.0 NA NA DT
DT
8.873
9.724
N
N
OP2
OP2
6t7c 2 P62805 100.0 4e-68 EM
2020-04-29 TYR B:52 B:51 21.0 0.091 H -73.2 -47.0 21.0 0.091 0.0 DT
DA
DA
DA
DC
9.136
8.793
5.951
4.511
9.992
CG
OH
OH
OH
OH
OP2
O3'
C3'
OP2
C5
TYR F:52 F:51 29.0 0.126 H -72.4 -40.1 29.0 0.126 0.0 DT
DT
DT
DA
DA
8.396
6.023
4.226
9.607
9.295
OH
CE2
OH
OH
CD1
O3'
OP2
OP2
N7
OP2
6t7d 2 P62805 100.0 4e-68 EM
2020-04-29 TYR B:52 B:51 60.0 NA H -72.3 -43.4 60.0 NA NA DA
9.141
N
OP1
TYR F:52 F:51 62.0 NA H -74.0 -45.9 62.0 NA NA DT
9.929
N
OP1
6tem 2 P62799 100.0 4e-68 EM
2020-04-08 TYR B:52 B:51 25.0 0.109 H -76.4 -35.3 25.0 0.109 0.0 DC
DA
DC
DG
DT
8.964
8.942
6.314
4.704
8.265
CE1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR F:52 F:51 25.0 0.109 H -76.1 -39.1 25.0 0.109 0.0 DC
DC
DC
DG
DA
9.821
6.598
5.048
9.889
9.064
CE2
OH
OH
OH
CE1
O3'
C3'
OP2
OP2
OP2
6upk 2 P62805 100.0 4e-68 EM
2019-12-11 TYR B:52 B:51 24.0 0.104 H -55.6 -57.2 24.0 0.104 0.0 DC
DG
DA
DC
DG
DT
9.018
9.965
8.301
5.156
3.676
8.843
CE2
CE2
OH
OH
OH
OH
OP2
OP2
O3'
C3'
OP2
C7
TYR F:52 F:51 29.0 0.126 H -68.9 -60.0 29.0 0.126 0.0 DC
DC
DC
DA
DC
8.198
5.881
7.093
7.908
8.506
OH
OH
OH
CE2
CE2
O3'
O5'
OP2
OP2
OP2
6upl 2 P62805 100.0 4e-68 EM
2019-12-11 TYR B:52 B:51 10.0 0.043 H -65.7 -43.9 10.0 0.043 0.0 DA
DC
DA
DC
DG
DT
9.879
8.462
9.214
6.815
4.906
8.072
CE1
CE1
CE2
OH
OH
OH
OP1
OP2
O3'
C3'
OP2
C7
TYR F:52 F:51 35.0 0.152 H -45.6 -63.7 35.0 0.152 0.0 DC
DC
DC
DA
DA
8.955
6.315
6.203
9.061
7.056
OH
OH
OH
CE2
CE2
O3'
C5'
OP2
O3'
OP2
6v92 24 P62805 100.0 4e-68 EM
2020-01-15 TYR CA:52 b:51 14.0 0.061 H -57.9 -45.1 14.0 0.061 0.0 DA
DT
DT
DG
DA
DA
9.086
9.887
9.576
6.445
4.686
9.563
CD1
CE2
CE2
OH
OH
OH
OP2
C7
O3'
C3'
OP2
OP2
TYR GA:52 f:51 29.0 0.126 H -55.9 -51.3 29.0 0.126 0.0 DC
DT
DG
DA
DT
9.371
6.422
4.587
9.805
8.648
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
N7
OP2
6vz4 2 P62799 100.0 4e-68 EM
2020-12-02 TYR B:52 B:52 13.0 0.057 H -63.3 -39.8 13.0 0.057 0.0 DC
DC
DC
DG
DA
9.262
6.719
4.557
9.255
8.487
CE1
OH
OH
OH
CD2
O3'
C3'
OP2
OP2
OP2
TYR F:52 F:52 16.0 0.07 H -65.7 -39.9 16.0 0.07 0.0 DC
DA
DC
DG
DT
8.692
8.851
6.467
4.420
8.165
CD1
CE2
OH
OH
OH
OP2
O3'
O3'
OP2
C7
6w5i 6 P62799 100.0 4e-68 EM
2021-03-31 TYR F:52 H:51 37.0 0.161 H -56.1 -62.2 37.0 0.161 0.0 DC
DC
DC
DA
7.301
5.160
5.223
8.454
OH
OH
OH
CD2
O3'
O5'
OP2
OP2
TYR J:52 L:51 36.0 0.157 H -56.3 -62.1 36.0 0.157 0.0 DC
DG
DA
DC
DG
DT
9.423
9.430
7.387
5.290
5.459
9.282
CD2
CE2
OH
OH
OH
OH
OP2
OP2
O3'
OP1
OP2
C7
6w5m 6 P62799 100.0 4e-68 EM
2021-03-31 TYR F:52 H:51 37.0 0.161 H -56.4 -62.0 37.0 0.161 0.0 DC
DC
DC
DA
7.356
5.139
5.158
9.127
OH
OH
OH
CD2
O3'
O5'
OP2
OP2
TYR J:52 L:51 38.0 0.165 H -56.3 -62.1 38.0 0.165 0.0 DC
DG
DA
DC
DG
DT
9.495
9.691
7.416
5.436
4.907
8.779
CD2
CD2
OH
OH
OH
OH
OP2
OP2
O3'
O5'
OP2
C7
6w5n 6 P62799 100.0 4e-68 EM
2021-03-31 TYR F:52 H:51 36.0 0.157 H -56.3 -62.1 36.0 0.157 0.0 DC
DC
DC
DA
7.364
5.234
5.370
8.811
OH
OH
OH
CD2
O3'
O5'
OP2
OP2
TYR J:52 L:51 38.0 0.165 H -56.3 -62.0 38.0 0.165 0.0 DC
DG
DA
DC
DG
DT
9.307
9.470
7.134
5.149
4.928
8.747
CD2
CD2
OH
OH
OH
OH
OP2
OP2
O3'
OP1
OP2
C7
6wkr 10 P62799 100.0 4e-68 EM
2021-02-03 TYR J:52 J:51 26.0 0.113 H -57.1 -5.6 26.0 0.113 0.0 DC
DC
DC
DC
DC
9.217
9.785
6.646
5.267
9.930
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
N4
TYR N:52 Q:51 34.0 0.148 H -58.7 -8.2 34.0 0.148 0.0 DC
DG
DT
DA
9.483
6.878
5.357
9.535
OH
OH
OH
CD2
O3'
C2'
OP2
OP2
6y5d 2 P62805 100.0 4e-68 EM
2020-09-23 TYR B:52 B:52 18.0 0.078 H -50.7 -50.9 18.0 0.078 0.0 DC
DA
DC
DG
DT
9.005
8.776
6.208
4.768
8.699
CD2
OH
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR F:52 F:52 11.0 0.048 H -46.3 -57.8 11.0 0.048 0.0 DC
DC
DC
DG
DA
8.809
5.849
4.061
9.398
9.153
CE2
OH
OH
OH
CD1
O3'
O3'
OP2
OP2
OP2
TYR N:52 N:52 18.0 0.078 H -52.1 -47.9 18.0 0.078 0.0 DC
DA
DC
DG
DT
9.587
8.567
6.426
5.721
9.680
CE2
OH
OH
OH
OH
OP2
O3'
O5'
OP2
C7
TYR R:52 R:52 17.0 0.074 H -52.3 -46.4 17.0 0.074 0.0 DC
DC
DC
DG
DA
8.429
5.314
3.649
9.440
9.204
CE1
OH
OH
OH
CB
O3'
O3'
OP2
OP2
OP2
6zhx 2 P62799 100.0 4e-68 EM
2020-12-23 TYR B:52 B:51 14.0 0.061 H -69.4 -40.7 14.0 0.061 0.0 DA
DC
DC
DA
DC
DG
DT
9.722
8.153
9.580
8.109
5.299
4.448
7.587
HB3
HB3
HE2
HE2
HE2
OH
OH
H3'
OP2
H42
H2''
H3'
OP2
H71
TYR F:52 F:51 18.0 0.078 H -67.2 -46.4 18.0 0.078 0.0 DC
DC
DC
DG
DA
DA
8.336
5.611
4.515
9.857
9.894
8.359
HE2
OH
OH
HH
HB3
HB3
H2''
H3'
OP2
OP2
H3'
OP2
6zhy 2 P62799 100.0 4e-68 EM
2020-12-23 TYR B:52 B:51 15.0 0.065 H -68.0 -46.1 15.0 0.065 0.0 DA
DC
DC
DA
DC
DG
DT
9.842
8.355
9.683
7.542
5.242
4.077
7.405
HB3
HB3
HE2
HE2
HE2
HH
OH
H3'
OP2
H42
O3'
OP2
OP2
H71
TYR F:52 F:51 18.0 0.078 H -67.3 -46.4 18.0 0.078 0.0 DC
DC
DC
DG
DC
DA
8.514
5.691
4.504
9.982
9.917
8.509
HE2
OH
HH
OH
OH
HB3
H2''
H3'
OP2
N7
H42
OP2
7dbp 3 P62805 100.0 4e-68 EM
2020-12-23 TYR C:52 B:51 19.0 0.083 H -49.5 -57.9 19.0 0.083 0.0 DA
DC
DG
DT
9.798
9.759
6.896
5.760
CE1
OH
OH
OH
OP2
O3'
O3'
OP2
TYR G:52 F:51 19.0 0.083 H -49.5 -57.9 19.0 0.083 0.0 DC
DC
DC
9.611
7.051
6.051
OH
OH
OH
O3'
C3'
OP2
7jo9 2 P62805 100.0 4e-68 EM
2020-09-16 TYR B:52 B:51 21.0 0.091 H -60.9 -44.7 21.0 0.091 0.0 DA
DC
DC
DC
9.182
9.603
7.103
5.496
CE1
CE2
OH
OH
OP2
O3'
C3'
OP2
TYR F:52 F:51 27.0 0.117 H -64.6 -45.2 27.0 0.117 0.0 DA
DC
DG
DT
DC
9.562
7.224
5.567
9.236
9.356
CE2
OH
OH
OH
CZ
O3'
C3'
OP2
C7
OP2
7joa 2 P62805 100.0 4e-68 EM
2020-09-16 TYR B:52 B:51 22.0 0.096 H -61.2 -47.1 22.0 0.096 0.0 DA
DC
DC
DC
9.456
9.891
7.084
5.462
CZ
OH
OH
OH
OP2
O3'
C3'
OP2
TYR F:52 F:51 23.0 0.1 H -63.5 -45.4 23.0 0.1 0.0 DA
DC
DG
DT
DC
9.497
7.089
5.435
9.309
9.526
OH
OH
OH
OH
CZ
O3'
C3'
OP2
C7
OP2
7k5x 2 P62805 100.0 4e-68 EM
2020-11-25 TYR B:52 B:51 23.0 0.1 H -64.7 -50.1 23.0 0.1 0.0 DC
DC
DC
DG
DA
9.062
6.051
4.531
9.749
8.793
OH
OH
OH
OH
CG
O3'
C3'
OP2
N7
OP2
TYR F:52 F:51 19.0 0.083 H -63.3 -47.9 19.0 0.083 0.0 DC
DA
DC
DG
DT
8.858
8.748
6.158
4.363
8.152
CD2
OH
OH
OH
OH
OP2
O3'
C3'
OP2
C7
7k5y 2 P62805 100.0 4e-68 EM
2020-11-25 TYR B:52 B:51 19.0 0.083 H -67.5 -44.7 19.0 0.083 0.0 DC
DC
DC
DG
DA
9.232
5.937
4.874
9.899
9.059
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
OP2
OP2
TYR F:52 F:51 21.0 0.091 H -68.6 -49.0 21.0 0.091 0.0 DC
DA
DC
DG
DT
8.852
9.153
6.489
4.759
8.273
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
7k60 2 P62805 100.0 4e-68 EM
2020-11-25 TYR B:52 B:51 40.0 0.174 H -60.8 -52.6 40.0 0.174 0.0 DC
DC
DC
DG
DC
DA
DG
8.858
6.233
4.968
9.535
9.854
8.125
9.991
OH
OH
OH
OH
OH
CE2
OH
O3'
C3'
OP2
N7
N4
OP2
O6
TYR F:52 F:51 33.0 0.143 H -60.7 -50.7 33.0 0.143 0.0 DC
DC
DA
DC
DG
DT
7.822
9.964
9.845
6.578
4.652
7.667
CE2
OH
OH
OH
OH
OH
OP2
N4
O3'
C2'
OP2
C7
7k61 2 P62805 100.0 4e-68 EM
2020-11-25 TYR B:52 B:51 13.0 0.057 H -65.1 -47.4 13.0 0.057 0.0 DC
DC
DC
DG
DA
8.548
5.892
4.308
9.566
8.816
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
N7
OP2
TYR F:52 F:51 18.0 0.078 H -62.2 -45.2 18.0 0.078 0.0 DC
DA
DC
DG
DT
8.831
8.753
5.910
4.173
7.791
CG
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
7k63 2 P62805 100.0 4e-68 EM
2020-11-25 TYR B:52 B:51 23.0 0.1 H -64.8 -49.3 23.0 0.1 0.0 DC
DC
DC
DG
DA
8.457
5.663
4.229
9.706
9.056
CE2
OH
OH
OH
CG
O3'
C3'
OP2
N7
OP2
TYR F:52 F:51 25.0 0.109 H -64.2 -49.5 25.0 0.109 0.0 DC
DA
DC
DG
DT
8.808
8.805
6.000
4.423
8.011
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
7kbd 2 P62799 100.0 4e-68 EM
2021-09-15 TYR B:52 B:51 14.0 0.061 H -71.0 -46.0 14.0 0.061 0.0 DA
DC
DC
DC
8.951
9.210
6.774
4.701
CD1
CE2
OH
OH
OP2
O3'
C3'
OP2
TYR F:52 F:51 24.0 0.104 H -48.6 -61.6 24.0 0.104 0.0 DA
DC
DG
DT
DC
9.033
6.466
4.511
8.062
9.021
CE2
OH
OH
OH
CD2
O3'
C3'
OP2
C7
OP2
7kbe 2 P62799 100.0 4e-68 EM
2021-09-15 TYR B:52 B:51 18.0 0.078 H -65.1 -42.4 18.0 0.078 0.0 DA
DC
DC
DC
DG
8.971
9.055
6.211
4.654
9.939
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
N7
TYR F:52 F:51 23.0 0.1 H -56.8 -53.3 23.0 0.1 0.0 DA
DC
DG
DT
DC
9.047
6.461
4.520
8.479
8.685
OH
OH
OH
OH
CD2
O3'
C3'
OP2
C7
OP2
7kbf 2 P62799 100.0 4e-68 EM
2021-09-15 TYR B:52 B:51 10.0 0.043 H -51.2 -51.7 10.0 0.043 0.0 DA
DC
DA
DC
DG
DT
9.805
8.320
9.953
7.381
6.204
8.773
CE1
CE1
CE2
CE2
OH
OH
OP1
OP2
O3'
C5'
OP2
C7
TYR F:52 F:51 12.0 0.052 H -73.4 -45.7 12.0 0.052 0.0 DC
DG
DT
DC
7.516
5.823
9.609
8.658
OH
OH
OH
CD2
C3'
OP1
C7
OP2
7m1x 4 P62799 100.0 4e-68 EM
2021-09-29 TYR D:52 B:51 21.0 0.091 H -62.4 -51.5 21.0 0.091 0.0 DA
DC
DC
DC
DG
8.785
9.248
6.951
4.946
9.731
CE1
CE2
CE2
OH
OH
OP2
O3'
OP2
OP2
N7
TYR H:52 F:251 18.0 0.078 H -58.0 -39.8 18.0 0.078 0.0 DA
DC
DG
DT
DC
9.015
6.782
5.165
8.799
8.578
CE2
CE2
OH
OH
CE2
O3'
OP2
OP2
C7
OP2
7mbm 6 P62799 100.0 4e-68 EM
2021-12-29 TYR F:52 H:51 26.0 0.113 H -63.6 -55.4 26.0 0.113 0.0 DA
DC
DG
DT
DC
9.755
7.036
5.465
9.674
9.885
CE2
OH
OH
OH
CZ
O3'
C3'
OP2
C7
OP2
TYR J:52 L:51 19.0 0.083 H -64.6 -46.5 19.0 0.083 0.0 DA
DC
DC
9.450
7.595
5.843
CE1
OH
OH
OP2
C3'
OP2
7mbn 6 P62799 100.0 4e-68 EM
2021-12-29 TYR F:52 H:51 38.0 0.165 H -56.3 -62.1 38.0 0.165 0.0 DC
DC
DC
DG
DA
7.562
5.492
4.929
9.702
8.395
OH
OH
OH
OH
CD2
O3'
O5'
OP2
O6
OP2
TYR J:52 L:51 38.0 0.165 H -56.2 -62.1 38.0 0.165 0.0 DC
DG
DA
DC
DG
DT
9.062
9.131
7.484
5.535
4.601
8.164
CD2
CD2
OH
OH
OH
OH
OP2
OP2
O3'
O5'
OP2
C7
7nkx 12 P62799 100.0 4e-68 EM
2021-08-25 TYR L:52 b:51 13.0 0.057 H -69.5 -44.5 13.0 0.057 0.0 DC
DA
DC
DG
DT
8.703
8.738
6.198
4.413
7.969
CD1
CE2
OH
OH
OH
OP2
O3'
O3'
OP2
C7
TYR P:52 f:51 15.0 0.065 H -64.6 -50.7 15.0 0.065 0.0 DC
DC
DC
DG
DA
8.961
6.132
4.269
9.660
8.861
CE1
CE1
OH
OH
CG
O3'
C5'
OP2
N7
OP2
7nky 21 P62799 100.0 4e-68 EM
2021-07-07 TYR U:52 b:51 29.0 0.126 H -68.9 -47.9 25.0 0.109 0.017 R:A0A6A5PUM6:0.017
DA
DC
DG
DT
DC
8.254
5.452
4.247
7.855
9.128
OH
OH
OH
OH
CD2
O3'
C3'
OP2
C7
OP2
TYR Y:52 f:51 18.0 0.078 H -63.5 -49.8 18.0 0.078 0.0 DA
DC
DC
DC
DG
9.363
8.143
4.815
3.905
9.329
CD2
OH
OH
OH
OH
OP2
O3'
C3'
OP2
N7
7nl0 2 P62805 100.0 4e-68 EM
2021-08-11 TYR B:52 B:51 14.0 0.061 H -69.7 -44.4 14.0 0.061 0.0 DA
DA
DT
DT
DT
8.714
9.297
6.376
4.648
8.781
CD2
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR F:52 F:51 17.0 0.074 H -56.9 -36.0 17.0 0.074 0.0 DG
DA
DA
DG
DT
8.646
6.349
4.424
9.876
8.993
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
N7
OP2
7otq 3 P62799 100.0 4e-68 EM
2021-09-15 TYR C:52 B:51 18.0 0.078 H -63.4 -55.2 18.0 0.078 0.0 DC
DG
DC
DA
DC
DG
DT
8.439
9.998
9.667
7.982
5.172
4.445
6.732
HB3
HD2
HH
HH
HH
HH
HH
OP2
OP2
H42
O3'
H3'
OP2
H72
TYR G:52 F:51 19.0 0.083 H -64.9 -47.7 19.0 0.083 0.0 DC
DC
DC
DG
DC
DA
DC
DC
7.828
5.367
4.571
9.539
9.770
8.497
9.894
9.991
HH
HH
HH
HH
HH
HB3
HE2
HH
O3'
H5''
OP2
N7
H42
OP2
H5
H41
3a6n 2 P62805 100.0 4e-68 X-RAY
2010-05-26 TYR B:55 B:51 17.0 0.074 H -68.2 -46.0 17.0 0.074 0.0 DA
DT
DG
DA
DA
HOH
8.825
9.350
6.319
4.674
9.637
2.616
CD1
CE2
OH
OH
OH
OH
OP2
O3'
C3'
OP2
OP2
O
TYR F:55 F:51 24.0 0.104 H -53.7 -42.8 24.0 0.104 0.0 DC
DT
DG
DA
DT
HOH
9.243
6.484
4.522
9.454
8.734
2.641
CE2
OH
OH
OH
CD1
OH
O3'
C3'
OP2
OP2
OP2
O
3afa 2 P62805 100.0 4e-68 X-RAY
2010-05-26 TYR B:55 B:51 19.0 0.083 H -58.1 -50.4 19.0 0.083 0.0 DA
DT
DG
DA
DA
HOH
9.051
9.334
6.155
4.526
9.556
2.681
CD1
CE2
OH
OH
OH
OH
OP2
O3'
C3'
OP2
OP2
O
TYR F:55 F:51 29.0 0.126 H -58.3 -43.0 29.0 0.126 0.0 DC
DT
DG
DA
DT
HOH
9.435
6.373
4.614
9.680
9.098
2.592
CE2
OH
OH
OH
CG
OH
O3'
C3'
OP2
OP2
OP2
O
3an2 2 B2R4R0 100.0 4e-68 X-RAY
2011-07-20 TYR B:55 B:51 48.0 0.209 G -45.5 -31.6 48.0 0.209 0.0 DC
DT
DC
DA
DC
DA
8.895
9.574
8.616
5.677
3.844
9.020
CD1
OH
CE2
OH
OH
OH
OP2
C7
O3'
C2'
OP2
OP2
TYR F:55 F:51 30.0 0.13 H -103.7 15.9 30.0 0.13 0.0 DC
DA
DC
DA
DC
DT
9.135
6.706
4.867
9.555
8.682
9.882
CE2
OH
OH
OH
CD1
CE2
O3'
O3'
OP1
OP2
OP2
C7
3av1 2 P62805 100.0 4e-68 X-RAY
2011-06-01 TYR B:55 B:51 18.0 0.078 H -60.0 -46.6 18.0 0.078 0.0 DA
DT
DG
DA
DA
HOH
8.881
9.324
6.180
4.546
9.615
2.765
CD1
CE2
OH
OH
OH
OH
OP2
O3'
C3'
OP2
OP2
O
TYR F:55 F:51 30.0 0.13 H -58.7 -45.3 30.0 0.13 0.0 DC
DT
DG
DA
DT
HOH
9.437
6.436
4.597
9.642
8.941
2.737
CE2
OH
OH
OH
CD1
OH
O3'
C3'
OP2
N7
OP2
O
3av2 2 P62805 100.0 4e-68 X-RAY
2011-06-01 TYR B:55 B:51 15.0 0.065 H -56.1 -53.1 15.0 0.065 0.0 DA
DT
DG
DA
DA
HOH
9.012
9.334
6.301
4.553
9.405
2.845
CD1
CE2
OH
OH
OH
OH
OP2
O3'
C3'
OP2
OP2
O
TYR F:55 F:51 26.0 0.113 H -62.1 -39.8 26.0 0.113 0.0 DC
DT
DG
DA
DT
HOH
9.468
6.485
4.520
9.590
8.977
2.721
CE2
OH
OH
OH
CD1
OH
O3'
C3'
OP2
OP2
OP2
O
3ayw 2 P62805 100.0 4e-68 X-RAY
2011-09-21 TYR B:55 B:51 21.0 0.091 H -52.7 -50.6 21.0 0.091 0.0 DA
DT
DG
DA
DA
9.171
9.068
5.871
4.387
9.494
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
OP2
TYR F:55 F:51 28.0 0.122 H -63.5 -39.5 28.0 0.122 0.0 DC
DT
DG
DA
DT
9.324
6.403
4.415
9.571
8.861
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
N7
OP2
3aze 2 P62805 100.0 4e-68 X-RAY
2011-09-21 TYR B:55 B:51 26.0 0.113 H -43.7 -43.3 26.0 0.113 0.0 DA
DT
DT
DG
DA
DA
9.010
9.863
9.674
5.926
4.793
9.780
CD1
CE2
CE2
OH
OH
OH
OP2
C7
O3'
C3'
OP2
N7
TYR F:55 F:51 25.0 0.109 H -43.3 -64.5 25.0 0.109 0.0 DC
DT
DG
DA
DT
9.719
6.143
4.493
9.616
8.900
CE2
OH
OH
OH
CG
O3'
C3'
OP2
OP2
OP2
3azf 2 P62805 100.0 4e-68 X-RAY
2011-09-21 TYR B:55 B:51 18.0 0.078 H -57.1 -52.7 18.0 0.078 0.0 DA
DT
DG
DA
DA
HOH
8.987
9.546
5.929
4.489
9.571
2.698
CD1
CE2
OH
OH
OH
OH
OP2
O3'
C3'
OP2
OP2
O
TYR F:55 F:51 31.0 0.135 H -59.4 -39.8 31.0 0.135 0.0 DC
DT
DG
DA
DT
HOH
9.514
6.307
4.432
9.659
8.822
2.709
CE2
OH
OH
OH
CD1
OH
O3'
C3'
OP2
N7
OP2
O
3azg 2 P62805 100.0 4e-68 X-RAY
2011-09-21 TYR B:55 B:51 19.0 0.083 H -59.1 -50.0 19.0 0.083 0.0 DA
DT
DG
DA
DA
HOH
9.001
9.345
5.936
4.470
9.637
2.778
CD1
CE2
OH
OH
OH
OH
OP2
O3'
C3'
OP2
OP2
O
TYR F:55 F:51 29.0 0.126 H -63.6 -41.3 29.0 0.126 0.0 DC
DT
DG
DA
DT
HOH
9.437
6.422
4.440
9.715
8.920
2.715
CE2
OH
OH
OH
CD1
OH
O3'
C3'
OP2
OP2
OP2
O
3azh 2 P62805 100.0 4e-68 X-RAY
2011-09-21 TYR B:55 B:51 16.0 0.07 H -41.7 -55.3 16.0 0.07 0.0 DA
DT
DT
DG
DA
DA
8.646
9.858
9.272
5.976
4.525
9.728
CD1
OH
CE2
OH
OH
OH
OP2
C7
O3'
C3'
OP2
OP2
TYR F:55 F:51 17.0 0.074 H -45.0 -60.8 17.0 0.074 0.0 DC
DT
DG
DA
DT
9.059
6.100
4.279
9.641
8.844
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
OP2
OP2
3w96 2 P62805 100.0 4e-68 X-RAY
2013-08-28 TYR B:55 B:51 22.0 0.096 H -46.3 -51.1 22.0 0.096 0.0 DA
DT
DT
DG
DA
DA
8.812
9.659
9.429
6.090
4.425
9.451
CD1
OH
CE2
OH
OH
OH
OP2
C7
O3'
C2'
OP2
OP2
TYR F:55 F:51 21.0 0.091 H -51.9 -45.6 21.0 0.091 0.0 DC
DT
DG
DA
DT
9.738
6.626
4.840
9.418
9.030
CE2
OH
OH
OH
CG
O3'
C3'
OP2
OP2
OP2
3w97 2 P62805 100.0 4e-68 X-RAY
2013-08-28 TYR B:55 B:51 18.0 0.078 H -28.4 -58.9 18.0 0.078 0.0 DA
DT
DG
DA
DA
9.154
9.338
6.170
4.377
9.802
CE1
CE2
OH
OH
OH
OP2
O3'
C2'
OP2
OP2
TYR F:55 F:51 35.0 0.152 H -44.8 -54.3 35.0 0.152 0.0 DC
DT
DG
DA
DT
9.435
6.459
4.684
9.557
8.900
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
OP2
OP2
3w98 2 P62805 100.0 4e-68 X-RAY
2013-08-28 TYR B:55 B:51 13.0 0.057 H -26.9 -64.8 13.0 0.057 0.0 DA
DT
DT
DG
DA
DA
8.980
9.866
9.288
6.272
4.639
9.619
CD1
OH
CE2
OH
OH
OH
OP2
C7
O3'
C3'
OP2
N7
TYR F:55 F:51 26.0 0.113 H -42.0 -57.7 26.0 0.113 0.0 DC
DT
DG
DA
DT
9.479
6.344
4.596
9.357
8.922
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
OP2
OP2
3wa9 2 P62805 100.0 4e-68 X-RAY
2013-12-18 TYR B:55 B:51 16.0 0.07 H -70.3 -47.0 16.0 0.07 0.0 DA
DT
DG
DA
DA
9.079
9.403
6.145
4.423
9.720
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
OP2
TYR F:55 F:51 25.0 0.109 H -56.7 -41.2 25.0 0.109 0.0 DC
DT
DG
DA
DT
9.563
6.208
4.483
9.532
9.000
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
OP2
OP2
3waa 2 P62805 100.0 4e-68 X-RAY
2013-12-18 TYR B:55 B:51 17.0 0.074 H -59.4 -51.4 17.0 0.074 0.0 DA
DT
DG
DA
DA
8.954
9.191
6.157
4.278
9.594
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
OP2
TYR F:55 F:51 23.0 0.1 H -62.8 -43.0 23.0 0.1 0.0 DC
DT
DG
DA
DT
9.685
6.676
4.684
9.505
9.059
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
OP2
OP2
3wkj 2 P62805 100.0 4e-68 X-RAY
2014-04-09 TYR B:55 B:51 17.0 0.074 H -62.6 -48.5 17.0 0.074 0.0 DA
DT
DG
DA
DA
8.879
9.456
6.300
4.649
9.493
CD1
CE2
OH
OH
OH
OP2
O3'
C2'
OP2
OP2
TYR F:55 F:51 30.0 0.13 H -58.0 -41.4 30.0 0.13 0.0 DC
DT
DG
DA
DT
HOH
9.567
6.446
4.626
9.578
9.152
2.894
CE2
OH
OH
OH
CD1
OH
O3'
C3'
OP2
OP2
OP2
O
3wtp 2 P62805 100.0 4e-68 X-RAY
2014-12-03 TYR B:55 B:51 18.0 0.078 H -69.8 -42.6 18.0 0.078 0.0 DA
DT
DT
DG
DA
DA
8.884
9.739
9.333
6.171
4.392
9.763
CD1
OH
CE2
OH
OH
OH
OP2
C7
O3'
C3'
OP2
OP2
TYR F:55 F:51 25.0 0.109 H -66.7 -45.1 25.0 0.109 0.0 DC
DT
DG
DA
DT
9.504
6.416
4.791
9.584
8.471
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
OP2
OP2
4ym5 2 P62805 100.0 4e-68 X-RAY
2015-12-02 TYR B:55 B:51 28.0 0.122 H -50.3 -55.3 28.0 0.122 0.0 DA
DT
DT
DG
DA
DA
8.435
9.188
9.802
6.253
4.734
9.731
CE1
OH
CE2
OH
OH
OH
OP2
C7
O3'
C3'
OP2
N7
TYR F:55 F:51 30.0 0.13 H -48.7 -54.9 30.0 0.13 0.0 DT
DG
DA
DA
DA
DT
9.702
6.727
4.956
9.421
8.212
9.264
CE2
OH
OH
OH
CE1
OH
O3'
C3'
OP2
N6
OP2
C7
4ym6 2 P62805 100.0 4e-68 X-RAY
2015-12-02 TYR B:55 B:51 25.0 0.109 H -42.4 -62.4 25.0 0.109 0.0 DA
DT
DG
DA
DA
8.786
9.162
6.268
4.312
9.813
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
OP2
TYR F:55 F:51 25.0 0.109 H -43.6 -61.1 25.0 0.109 0.0 DC
DT
DG
DA
DT
9.199
6.182
4.460
9.483
9.041
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
N7
OP2
4z5t 2 P62805 100.0 4e-68 X-RAY
2016-02-10 TYR B:55 B:51 25.0 0.109 H -55.4 -43.5 25.0 0.109 0.0 DA
DT
DT
DG
DA
DA
8.759
9.942
9.494
6.543
4.642
9.562
CD1
OH
CE2
OH
OH
OH
OP2
C7
O3'
C3'
OP2
OP2
TYR F:55 F:51 23.0 0.1 H -54.4 -42.5 23.0 0.1 0.0 DC
DT
DG
DA
DT
8.793
6.405
4.344
9.490
8.910
CE2
OH
OH
OH
CE1
O3'
C3'
OP2
OP2
OP2
5ay8 2 P62805 100.0 4e-68 X-RAY
2016-04-06 TYR B:55 B:51 15.0 0.065 H -73.4 -45.6 15.0 0.065 0.0 DA
DT
DG
DA
DA
9.313
9.323
6.014
4.168
9.599
CG
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
N7
TYR F:55 F:51 12.0 0.052 H -72.0 -45.1 12.0 0.052 0.0 DC
DT
DG
DA
DT
9.165
6.231
4.266
9.553
9.302
CE2
OH
OH
OH
CG
O3'
C3'
OP2
N7
OP2
5b0y 2 P62805 100.0 4e-68 X-RAY
2016-01-27 TYR B:55 B:51 14.0 0.061 H -65.4 -42.0 14.0 0.061 0.0 DA
DT
DT
DG
DA
DA
9.084
9.892
9.445
6.229
4.446
9.572
CD1
OH
CE2
OH
OH
OH
OP2
C7
O3'
C3'
OP2
OP2
TYR F:55 F:51 27.0 0.117 H -64.1 -42.1 27.0 0.117 0.0 DC
DT
DG
DA
DT
HOH
9.405
6.326
4.560
9.845
8.629
3.499
CE2
OH
OH
OH
CD1
N
O3'
C3'
OP2
N7
OP2
O
5b0z 2 P62805 100.0 4e-68 X-RAY
2016-01-27 TYR B:55 B:51 14.0 0.061 H -67.3 -42.6 14.0 0.061 0.0 DA
DT
DT
DG
DA
DA
HOH
8.787
9.900
9.292
6.347
4.485
9.569
2.888
CD1
OH
CE2
OH
OH
OH
OH
OP2
C7
O3'
C3'
OP2
OP2
O
TYR F:55 F:51 15.0 0.065 H -65.9 -43.4 15.0 0.065 0.0 DC
DT
DG
DA
DT
HOH
9.194
6.336
4.528
9.749
8.626
2.747
CE2
OH
OH
OH
CD1
OH
O3'
C3'
OP2
N7
OP2
O
5b1l 2 P62806 100.0 4e-68 X-RAY
2017-02-15 TYR B:55 B:51 17.0 0.074 H -58.8 -55.7 17.0 0.074 0.0 DA
DT
DT
DG
DA
DA
HOH
8.781
9.707
9.560
6.369
4.397
9.561
2.544
CD1
OH
CE2
OH
OH
OH
OH
OP2
C7
O3'
C3'
OP2
OP2
O
TYR F:55 F:51 25.0 0.109 H -58.7 -54.6 25.0 0.109 0.0 DC
DT
DG
DA
DT
HOH
9.335
6.365
4.384
9.707
8.895
2.758
CE2
OH
OH
OH
CD1
OH
O3'
C3'
OP2
OP2
OP2
O
5b1m 2 P62806 100.0 4e-68 X-RAY
2017-02-15 TYR B:55 B:51 16.0 0.07 H -57.6 -58.2 16.0 0.07 0.0 DA
DT
DG
DA
DA
9.065
9.353
6.258
4.714
9.826
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
N7
TYR F:55 F:51 30.0 0.13 H -70.3 -45.2 30.0 0.13 0.0 DC
DT
DG
DA
DT
HOH
9.209
6.090
4.345
9.707
8.973
2.267
CE2
OH
OH
OH
CD1
OH
O3'
C3'
OP2
N7
OP2
O
5b24 2 P62805 100.0 4e-68 X-RAY
2016-03-02 TYR B:55 B:51 15.0 0.065 H -56.0 -34.2 15.0 0.065 0.0 DA
DT
DT
DG
DA
DA
8.745
9.629
9.475
6.271
4.724
9.595
CD1
OH
CE2
OH
OH
OH
OP2
C7
O3'
C3'
OP2
OP2
TYR F:55 F:51 29.0 0.126 H -64.3 -30.0 29.0 0.126 0.0 DC
DT
DG
DA
DT
9.532
6.572
4.796
9.407
8.460
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
N7
OP2
5b2i 2 P62805 100.0 4e-68 X-RAY
2016-06-15 TYR B:55 B:51 18.0 0.078 H -61.0 -38.6 18.0 0.078 0.0 DA
DT
DT
DG
DA
DA
9.030
9.942
8.937
5.894
4.436
9.743
CD1
OH
CE2
OH
OH
OH
OP2
C7
O3'
C3'
OP2
N7
TYR F:55 F:51 20.0 0.087 H -63.1 -36.9 20.0 0.087 0.0 DG
DT
DG
DA
DT
9.310
6.448
4.585
9.716
9.159
CE2
OH
OH
OH
CD1
O3'
O3'
OP2
N7
OP2
5b2j 2 P62805 100.0 4e-68 X-RAY
2016-06-15 TYR B:55 B:51 18.0 0.078 H -65.7 -39.0 18.0 0.078 0.0 DA
DT
DG
DA
DA
HOH
9.091
8.928
6.010
4.394
9.595
6.396
CD1
CE2
OH
OH
OH
CE2
OP2
O3'
C3'
OP2
OP2
O
TYR F:55 F:51 24.0 0.104 H -69.8 -41.9 24.0 0.104 0.0 DG
DT
DG
DA
DT
HOH
9.237
6.519
4.556
9.509
8.738
2.978
CE2
OH
OH
OH
CD1
OH
O3'
O3'
OP2
OP2
OP2
O
5b31 2 P62805 100.0 4e-68 X-RAY
2016-08-03 TYR B:55 B:51 14.0 0.061 H -69.5 -43.2 14.0 0.061 0.0 DA
DT
DG
DA
DA
HOH
8.979
9.226
6.154
4.402
9.570
3.206
CD1
CE2
OH
OH
OH
N
OP2
O3'
C3'
OP2
OP2
O
TYR F:55 F:51 31.0 0.135 H -61.6 -36.5 31.0 0.135 0.0 DC
DT
DG
DA
DT
HOH
9.384
6.284
4.365
9.664
8.861
2.483
CE2
OH
OH
OH
CD1
OH
O3'
C3'
OP2
OP2
OP2
O
5b32 2 P62805 100.0 4e-68 X-RAY
2016-08-03 TYR B:55 B:51 16.0 0.07 H -60.8 -44.8 16.0 0.07 0.0 DA
DT
DT
DG
DA
DA
HOH
8.636
9.881
9.357
6.371
4.563
9.569
3.926
CD1
OH
CE2
OH
OH
OH
N
OP2
C7
O3'
C3'
OP2
OP2
O
TYR F:55 F:51 26.0 0.113 H -62.5 -39.4 26.0 0.113 0.0 DC
DT
DG
DA
DT
HOH
9.147
6.351
4.384
9.563
8.670
3.834
CE2
OH
OH
OH
CD1
N
O3'
O3'
OP2
N7
OP2
O
5b33 2 P62805 100.0 4e-68 X-RAY
2016-08-03 TYR B:55 B:51 16.0 0.07 H -67.6 -45.5 16.0 0.07 0.0 DA
DT
DG
DA
DA
9.106
9.306
6.170
4.383
9.587
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
OP2
TYR F:55 F:51 23.0 0.1 H -66.7 -37.4 23.0 0.1 0.0 DC
DT
DG
DA
DT
9.674
6.659
4.712
9.548
8.813
CE2
OH
OH
OH
CD1
O3'
O3'
OP2
OP2
OP2
5cpi 2 P62805 100.0 4e-68 X-RAY
2015-10-28 TYR B:55 B:51 16.0 0.07 H -54.4 -37.2 16.0 0.07 0.0 DA
DC
DC
DA
8.064
7.563
5.602
9.448
CE1
OH
OH
OH
OP2
C2'
OP2
OP2
TYR F:55 F:51 16.0 0.07 H -54.5 -37.6 16.0 0.07 0.0 DG
DG
DC
DT
DT
DT
9.008
5.506
4.268
7.813
8.328
9.904
CE2
OH
OH
OH
CD1
CE1
O3'
C3'
OP1
C7
OP2
C7
5cpj 2 P62805 100.0 4e-68 X-RAY
2015-10-28 TYR B:55 B:51 35.0 0.152 H -53.3 -33.6 35.0 0.152 0.0 DA
DT
DC
DC
8.414
9.001
6.665
4.856
CE1
CE2
OH
OH
OP2
O3'
C3'
OP2
TYR F:55 F:51 23.0 0.1 H -57.6 -36.3 23.0 0.1 0.0 DG
DG
DC
DT
DT
DT
DG
8.960
6.121
4.757
7.438
8.495
8.589
9.700
CE2
OH
OH
OH
CD1
OH
OH
O3'
C3'
OP1
C7
OP2
C7
O6
5cpk 2 P62805 100.0 4e-68 X-RAY
2015-10-28 TYR B:55 B:51 14.0 0.061 H -62.2 -46.0 14.0 0.061 0.0 DG
DC
DC
DT
DG
8.502
8.890
6.343
4.366
9.384
CD1
CE2
OH
OH
OH
OP2
O3'
O3'
OP2
N7
TYR F:55 F:51 23.0 0.1 H -62.8 -48.0 23.0 0.1 0.0 DT
DC
DT
DT
DT
5CM
9.369
6.490
4.500
7.984
8.810
9.821
CE2
OH
OH
OH
CD1
OH
O3'
C3'
OP2
C7
OP2
C5A
5gse 2 P62805 100.0 4e-68 X-RAY
2017-05-03 TYR B:55 B:51 16.0 0.07 H -57.4 -36.9 16.0 0.07 0.0 DA
DC
DC
DC
DG
8.734
8.212
5.869
4.037
9.424
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
OP2
TYR F:55 F:51 21.0 0.091 H -57.9 -37.1 21.0 0.091 0.0 DA
DC
DG
DT
DC
DC
9.076
6.576
4.457
7.864
8.967
9.688
CE2
OH
OH
OH
CD1
OH
O3'
C3'
OP2
C7
OP2
N4
TYR L:55 L:51 18.0 0.078 H -55.4 -63.5 18.0 0.078 0.0 DA
DC
DG
DT
DC
8.697
5.987
4.569
7.980
8.893
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
C7
OP2
TYR P:55 P:51 16.0 0.07 H -57.0 -37.1 16.0 0.07 0.0 DA
DC
DC
DC
DG
9.001
8.604
5.974
4.110
9.071
CD1
CE2
OH
OH
OH
OP2
O3'
O3'
OP2
N7
5gtc 2 P62805 100.0 4e-68 X-RAY
2017-06-28 TYR B:55 B:51 21.0 0.091 H -61.2 -44.1 21.0 0.091 0.0 DA
DT
DG
DA
DA
8.874
9.373
6.391
4.507
9.558
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
OP2
TYR F:55 F:51 27.0 0.117 H -59.7 -43.0 27.0 0.117 0.0 DC
DT
DG
DA
DT
9.287
6.317
4.519
9.667
8.897
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
N7
OP2
5gxq 2 P62805 100.0 4e-68 X-RAY
2017-04-19 TYR B:55 B:51 15.0 0.065 H -66.4 -43.8 15.0 0.065 0.0 DA
DT
DG
DA
DA
9.078
9.347
6.123
4.527
9.593
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
OP2
TYR F:55 F:51 25.0 0.109 H -68.3 -37.4 25.0 0.109 0.0 DC
DT
DG
DA
DT
9.389
6.226
4.600
9.722
8.965
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
OP2
OP2
5jrg 2 P62805 100.0 4e-68 X-RAY
2017-03-08 TYR B:55 B:51 15.0 0.065 H -61.1 -38.9 15.0 0.065 0.0 DA
DT
DT
DG
DA
DA
HOH
9.193
9.790
9.737
6.660
4.731
9.531
3.730
CD1
CE2
CE2
OH
OH
OH
N
OP2
C7
O3'
C3'
OP2
OP2
O
TYR F:55 F:51 14.0 0.061 H -59.6 -39.3 14.0 0.061 0.0 DT
DG
DA
DA
DA
DT
HOH
9.431
6.200
4.460
9.591
9.159
9.887
3.549
CE2
OH
OH
OH
CD1
CE2
CB
O3'
C3'
OP2
N7
OP2
C7
O
5x7x 2 P62805 100.0 4e-68 X-RAY
2017-04-19 TYR B:55 B:51 17.0 0.074 H -58.3 -53.3 17.0 0.074 0.0 DA
DT
DT
DG
DA
DA
HOH
8.917
9.769
9.434
6.333
4.563
9.710
5.418
CD1
OH
CE2
OH
OH
OH
N
OP2
C7
O3'
C3'
OP2
N7
O
TYR F:55 F:51 26.0 0.113 H -58.3 -52.4 26.0 0.113 0.0 DC
DT
DG
DA
DT
HOH
9.184
6.187
4.344
9.693
8.837
2.571
CE2
OH
OH
OH
CD1
OH
O3'
C3'
OP2
N7
OP2
O
5xm0 2 P62806 100.0 4e-68 X-RAY
2018-03-07 TYR B:55 B:51 15.0 0.065 H -62.5 -46.7 15.0 0.065 0.0 DA
DT
DG
DA
DA
8.960
9.343
6.176
4.544
9.567
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
OP2
TYR F:55 F:51 28.0 0.122 H -60.4 -46.4 28.0 0.122 0.0 DC
DT
DG
DA
DT
9.537
6.340
4.576
9.646
9.091
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
N7
OP2
5xm1 2 P62806 100.0 4e-68 X-RAY
2018-03-07 TYR B:55 B:51 15.0 0.065 H -57.8 -40.2 15.0 0.065 0.0 DA
DT
DT
DG
DA
DA
8.970
9.829
9.352
6.225
4.365
9.507
CD1
OH
CE2
OH
OH
OH
OP2
C7
O3'
C3'
OP2
OP2
TYR F:55 F:51 25.0 0.109 H -56.2 -39.0 25.0 0.109 0.0 DC
DT
DG
DA
DT
9.550
6.549
4.483
9.431
8.563
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
N7
OP2
5y0c 3 P62805 100.0 4e-68 X-RAY
2018-07-18 TYR D:55 B:51 16.0 0.07 H -60.2 -51.0 16.0 0.07 0.0 DA
DT
DT
DG
DA
DA
HOH
8.889
9.813
9.348
6.454
4.571
9.723
9.724
CD1
OH
CE2
OH
OH
OH
OH
OP2
C7
O3'
C3'
OP2
N7
O
TYR H:55 F:51 24.0 0.104 H -60.6 -50.8 24.0 0.104 0.0 DC
DT
DG
DA
DT
HOH
9.029
6.365
4.543
9.572
8.819
2.808
CE2
OH
OH
OH
CD1
OH
O3'
C3'
OP2
OP2
OP2
O
5y0d 2 P62805 100.0 4e-68 X-RAY
2018-07-18 TYR B:55 B:51 16.0 0.07 H -61.9 -53.4 16.0 0.07 0.0 DA
DT
DT
DG
DA
DA
HOH
8.905
9.996
9.716
6.530
4.785
9.921
2.625
CD1
OH
CE2
OH
OH
OH
OH
OP2
C7
O3'
C3'
OP2
N7
O
TYR F:55 F:51 23.0 0.1 H -61.0 -52.6 23.0 0.1 0.0 DC
DT
DG
DA
DT
HOH
9.388
6.386
4.457
9.737
8.844
2.933
CE2
OH
OH
OH
CD1
OH
O3'
C3'
OP2
OP2
OP2
O
5z23 2 P62805 100.0 4e-68 X-RAY
2019-02-13 TYR B:55 B:51 13.0 0.057 H -63.7 -40.7 13.0 0.057 0.0 DA
DT
DG
DA
DA
9.115
9.566
6.266
4.464
9.625
CG
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
N7
TYR F:55 F:51 16.0 0.07 H -65.7 -40.9 16.0 0.07 0.0 DC
DT
DG
DA
DT
8.983
6.226
4.327
9.616
8.996
OH
OH
OH
OH
CG
O3'
C3'
OP2
OP2
OP2
5z30 2 P62805 100.0 4e-68 X-RAY
2018-07-18 TYR B:55 B:51 18.0 0.078 H -59.6 -54.3 18.0 0.078 0.0 DA
DT
DT
DG
DA
DA
9.057
9.986
9.393
6.155
4.403
9.658
CD1
OH
CE2
OH
OH
OH
OP2
C7
O3'
C3'
OP2
N7
TYR F:55 F:51 28.0 0.122 H -59.4 -53.3 28.0 0.122 0.0 DC
DT
DG
DA
DT
HOH
9.345
6.404
4.445
9.838
8.915
3.651
CE2
OH
OH
OH
CD1
N
O3'
C3'
OP2
OP2
OP2
O
5zbx 2 P62805 100.0 4e-68 X-RAY
2019-02-13 TYR B:55 B:51 15.0 0.065 H -63.7 -47.8 15.0 0.065 0.0 DA
DT
DG
DA
DA
9.215
9.487
6.300
4.531
9.647
CD1
OH
OH
OH
OH
OP2
O3'
C3'
OP2
N7
TYR F:55 F:51 16.0 0.07 H -63.1 -44.0 16.0 0.07 0.0 DC
DT
DG
DA
DT
9.392
6.457
4.620
9.709
8.983
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
N7
OP2
6a5l 17 P62805 100.0 4e-68 EM
2018-10-03 TYR Q:55 b:51 41.0 0.178 H -72.9 -43.7 41.0 0.178 0.0 DC
DA
DC
DG
DT
9.381
9.089
6.706
6.519
8.976
CD1
OH
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR U:55 f:51 53.0 0.23 H -67.9 -51.4 53.0 0.23 0.0 DC
DC
DC
DG
DA
DC
9.303
6.451
6.317
9.428
8.846
9.837
OH
OH
OH
OH
CE2
CE2
O3'
C2'
OP2
N7
OP2
OP2
6a5o 17 P62805 100.0 4e-68 EM
2018-10-03 TYR Q:55 b:51 23.0 0.1 H -65.3 -46.8 23.0 0.1 0.0 DC
DC
DA
DC
DG
DT
8.409
9.941
8.944
6.098
4.915
7.861
CE1
OH
OH
OH
OH
OH
OP2
N4
O3'
C2'
OP2
C7
TYR U:55 f:51 33.0 0.143 H -63.1 -51.1 33.0 0.143 0.0 DC
DC
DC
DG
DA
9.514
6.501
5.331
9.819
8.927
CE2
OH
OH
OH
CE2
O3'
C3'
OP2
O6
OP2
6a5p 17 P62805 100.0 4e-68 EM
2018-10-03 TYR Q:55 b:51 25.0 0.109 H -65.4 -46.7 25.0 0.109 0.0 DC
DA
DC
DG
DT
8.842
9.964
6.973
5.028
8.433
CE1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR U:55 f:51 33.0 0.143 H -63.2 -51.1 33.0 0.143 0.0 DC
DC
DG
DA
DC
6.926
6.406
9.520
8.275
9.840
OH
OH
OH
CE2
CE2
C3'
OP2
N7
OP2
OP2
6a5r 17 P62805 100.0 4e-68 EM
2018-10-03 TYR Q:55 b:51 21.0 0.091 H -65.3 -46.8 21.0 0.091 0.0 DC
DA
DC
DG
DT
8.843
9.964
6.974
5.028
8.432
CE1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR U:55 f:51 32.0 0.139 H -63.2 -51.1 32.0 0.139 0.0 DC
DC
DG
DA
DC
6.926
6.406
9.520
8.275
9.840
OH
OH
OH
CE2
CE2
C3'
OP2
N7
OP2
OP2
6a5t 17 P62805 100.0 4e-68 EM
2018-10-03 TYR Q:55 b:51 41.0 0.178 H -72.9 -43.6 41.0 0.178 0.0 DC
DA
DC
DG
DT
9.380
9.090
6.707
6.519
8.977
CD1
OH
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR U:55 f:51 55.0 0.239 H -67.9 -51.3 55.0 0.239 0.0 DC
DC
DC
DG
DA
DC
9.302
6.451
6.317
9.427
8.846
9.836
OH
OH
OH
OH
CE2
CE2
O3'
C2'
OP2
N7
OP2
OP2
6a5u 17 P62805 100.0 4e-68 EM
2018-10-03 TYR Q:55 b:51 41.0 0.178 H -72.9 -43.6 41.0 0.178 0.0 DC
DA
DC
DG
DT
9.381
9.090
6.707
6.520
8.975
CD1
OH
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR U:55 f:51 53.0 0.23 H -68.0 -51.4 53.0 0.23 0.0 DC
DC
DC
DG
DA
DC
9.302
6.451
6.316
9.428
8.846
9.837
OH
OH
OH
OH
CE2
CE2
O3'
C2'
OP2
N7
OP2
OP2
6hkt 2 P62805 100.0 4e-68 X-RAY
2018-10-31 TYR B:55 B:51 17.0 0.074 H -67.6 -49.0 17.0 0.074 0.0 DC
DA
DC
DG
DT
9.326
8.560
5.871
4.471
8.228
CD1
OH
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR F:55 F:51 14.0 0.061 H -66.7 -45.8 14.0 0.061 0.0 DC
DC
DC
DG
DA
9.042
5.952
4.668
9.989
9.115
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
O6
OP2
TYR L:55 b:51 14.0 0.061 H -68.3 -46.5 14.0 0.061 0.0 DC
DA
DC
DG
DT
9.388
8.738
6.015
4.326
8.169
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR P:55 f:51 17.0 0.074 H -66.4 -49.1 17.0 0.074 0.0 DC
DC
DC
DG
DA
9.527
6.030
4.400
9.379
9.081
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
N7
OP2
TYR T:55 L:51 18.0 0.078 H -67.3 -48.5 18.0 0.078 0.0 DC
DA
DC
DG
DT
8.482
9.293
6.281
4.396
7.841
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR X:55 P:51 13.0 0.057 H -65.8 -45.9 13.0 0.057 0.0 DC
DC
DC
DG
DA
8.998
5.725
4.139
9.548
8.879
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
OP2
OP2
TYR BA:55 l:51 14.0 0.061 H -65.8 -46.8 14.0 0.061 0.0 DC
DA
DC
DG
DT
9.042
8.685
6.273
5.101
8.567
CD1
OH
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR FA:55 p:51 18.0 0.078 H -65.8 -49.4 18.0 0.078 0.0 DC
DC
DC
DG
DA
9.617
6.212
5.332
9.799
8.586
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
O6
OP2
TYR JA:55 V:51 17.0 0.074 H -67.4 -47.8 17.0 0.074 0.0 DC
DA
DC
DG
DT
9.166
8.730
6.174
4.847
8.445
CD1
OH
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR NA:55 Z:51 13.0 0.057 H -65.7 -48.4 13.0 0.057 0.0 DC
DC
DC
8.637
5.862
5.061
CE2
OH
OH
O3'
C3'
OP2
TYR RA:55 v:51 13.0 0.057 H -69.3 -43.7 13.0 0.057 0.0 DC
DA
DC
DG
DT
9.047
8.935
6.325
4.741
8.307
CD1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR VA:55 z:51 17.0 0.074 H -66.3 -48.5 17.0 0.074 0.0 DC
DC
DC
DG
DA
8.890
5.668
4.499
9.961
9.283
CE2
OH
OH
OH
CD1
O3'
C3'
OP2
O6
OP2
6inq 17 P62805 100.0 4e-68 EM
2019-04-03 TYR Q:55 b:51 40.0 0.174 H -72.8 -43.7 40.0 0.174 0.0 DC
DA
DC
DG
DT
9.379
9.089
6.705
6.518
8.976
CD1
OH
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR U:55 f:51 52.0 0.226 H -67.9 -51.5 52.0 0.226 0.0 DC
DC
DC
DG
DA
DC
9.303
6.451
6.316
9.427
8.846
9.837
OH
OH
OH
OH
CE2
CE2
O3'
C2'
OP2
N7
OP2
OP2
6ir9 20 P62805 100.0 4e-68 EM
2019-02-20 TYR T:55 b:51 42.0 0.183 H -72.8 -43.7 42.0 0.183 0.0 DC
DA
DC
DG
DT
9.380
9.090
6.708
6.520
8.979
CD1
OH
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR X:55 f:51 55.0 0.239 H -67.9 -51.3 55.0 0.239 0.0 DC
DC
DC
DG
DA
DC
9.304
6.452
6.317
9.428
8.846
9.836
OH
OH
OH
OH
CE2
CE2
O3'
C2'
OP2
N7
OP2
OP2
6j4w 20 P62805 100.0 4e-68 EM
2019-02-20 TYR T:55 b:51 24.0 0.104 H -65.4 -46.7 24.0 0.104 0.0 DC
DA
DC
DG
DT
8.842
9.964
6.974
5.027
8.432
CE1
CE2
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR X:55 f:51 34.0 0.148 H -63.2 -51.0 34.0 0.148 0.0 DC
DC
DG
DA
DC
6.926
6.406
9.520
8.275
9.841
OH
OH
OH
CE2
CE2
C3'
OP2
N7
OP2
OP2
6j4x 20 P62805 100.0 4e-68 EM
2019-02-20 TYR T:55 b:51 42.0 0.183 H -72.8 -43.7 42.0 0.183 0.0 DC
DA
DC
DG
DT
9.380
9.090
6.706
6.519
8.978
CD1
OH
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR X:55 f:51 54.0 0.235 H -67.9 -51.3 54.0 0.235 0.0 DC
DC
DC
DG
DA
DC
9.304
6.452
6.316
9.427
8.847
9.838
OH
OH
OH
OH
CE2
CE2
O3'
C2'
OP2
N7
OP2
OP2
6j4y 20 P62805 100.0 4e-68 EM
2019-02-20 TYR T:55 b:51 41.0 0.178 H -72.9 -43.7 41.0 0.178 0.0 DC
DA
DC
DG
DT
9.380
9.091
6.707
6.519
8.978
CD1
OH
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR X:55 f:51 55.0 0.239 H -68.1 -51.2 55.0 0.239 0.0 DC
DC
DC
DG
DA
DC
9.304
6.452
6.316
9.427
8.846
9.838
OH
OH
OH
OH
CE2
CE2
O3'
C2'
OP2
N7
OP2
OP2
6j4z 19 P62805 100.0 4e-68 EM
2019-02-20 TYR S:55 b:51 41.0 0.178 H -72.9 -43.7 41.0 0.178 0.0 DC
DA
DC
DG
DT
9.380
9.090
6.706
6.521
8.975
CD1
OH
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR W:55 f:51 53.0 0.23 H -68.0 -51.4 53.0 0.23 0.0 DC
DC
DC
DG
DA
DC
9.303
6.450
6.316
9.427
8.846
9.838
OH
OH
OH
OH
CE2
CE2
O3'
C2'
OP2
N7
OP2
OP2
6j50 19 P62805 100.0 4e-68 EM
2019-02-20 TYR S:55 b:51 40.0 0.174 H -72.8 -43.7 40.0 0.174 0.0 DC
DA
DC
DG
DT
9.381
9.090
6.707
6.521
8.976
CD1
OH
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR W:55 f:51 55.0 0.239 H -68.0 -51.3 55.0 0.239 0.0 DC
DC
DC
DG
DA
DC
9.303
6.452
6.317
9.428
8.846
9.837
OH
OH
OH
OH
CE2
CE2
O3'
C2'
OP2
N7
OP2
OP2
6j51 20 P62805 100.0 4e-68 EM
2019-02-20 TYR T:55 b:51 39.0 0.17 H -72.8 -43.8 39.0 0.17 0.0 DC
DA
DC
DG
DT
9.381
9.090
6.706
6.519
8.975
CD1
OH
OH
OH
OH
OP2
O3'
C3'
OP2
C7
TYR X:55 f:51 53.0 0.23 H -68.0 -51.4 53.0 0.23 0.0 DC
DC
DC
DG
DA
DC
9.303
6.451
6.316
9.427
8.846
9.838
OH
OH
OH
OH
CE2
CE2
O3'
C2'
OP2
N7
OP2
OP2
6jou 2 P62805 100.0 4e-68 X-RAY
2020-03-25 TYR B:55 B:51 18.0 0.078 H -67.5 -43.5 18.0 0.078 0.0 DA
DT
DG
DA
DA
HOH
8.898
9.380
6.347
4.483
9.693
2.627
CG
CE2
OH
OH
OH
OH
OP2
O3'
C3'
OP2
OP2
O
TYR F:55 F:51 28.0 0.122 H -57.7 -50.0 28.0 0.122 0.0 DC
DT
DG
DA
DT
HOH
9.318
6.234
4.364
9.766
8.925
2.437
CE2
OH
OH
OH
CD1
OH
O3'
C3'
OP2
N7
OP2
O
6jr0 2 P62805 100.0 4e-68 X-RAY
2019-10-02 TYR B:55 B:51 15.0 0.065 H -58.7 -50.1 15.0 0.065 0.0 DA
DT
DT
DG
DA
DA
HOH
9.008
9.926
9.446
6.440
4.557
9.474
3.805
CD1
OH
CE2
OH
OH
OH
CB
OP2
C7
O3'
C3'
OP2
N7
O
TYR F:55 F:51 24.0 0.104 H -59.6 -51.0 24.0 0.104 0.0 DC
DT
DG
DA
DT
HOH
9.120
6.236
4.339
9.644
8.821
2.990
CE2
OH
OH
OH
CD1
OH
O3'
C3'
OP2
OP2
OP2
O
6jr1 2 P62805 100.0 4e-68 X-RAY
2019-10-02 TYR B:55 B:51 13.0 0.057 H -62.4 -51.6 13.0 0.057 0.0 DA
DT
DG
DA
DA
HOH
8.920
9.441
6.546
4.683
9.772
2.449
CD1
CE2
OH
OH
OH
OH
OP2
O3'
C3'
OP2
N7
O
TYR F:55 F:51 26.0 0.113 H -64.5 -48.7 26.0 0.113 0.0 DC
DT
DG
DA
DT
HOH
9.319
6.435
4.498
9.664
8.783
2.901
CE2
OH
OH
OH
CD1
OH
O3'
C3'
OP2
OP2
OP2
O
6k1i 2 P62805 100.0 4e-68 X-RAY
2020-01-15 TYR B:55 B:51 14.0 0.061 H -58.8 -46.7 14.0 0.061 0.0 DC
DA
DC
DG
DT
8.951
9.193
5.320
4.593
8.324
CD1
CE2
OH
OH
OH
OP2
O3'
O3'
OP2
C7
TYR F:55 F:51 15.0 0.065 H -75.2 -37.5 15.0 0.065 0.0 DA
DC
DC
DG
DA
9.010
6.001
4.322
9.537
8.829
OH
OH
OH
OH
CD1
O3'
C3'
OP2
OP2