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
OP2
6k1j 2 P62805 100.0 4e-68 X-RAY
 2020-01-15 TYR B:55 B:51 14.0 0.061 H -63.5 -48.3 14.0 0.061 0.0 DA
DT
DG
DA
DA
HOH
 9.148
8.892
5.586
4.528
9.585
2.753
 CD1
CE2
OH
OH
OH
N
 OP2
O3'
C3'
OP2
OP2
O
TYR F:55 F:51 15.0 0.065 H -60.1 -46.1 15.0 0.065 0.0 DT
DG
DA
DA
DA
DT
 9.151
6.073
4.592
9.394
8.912
9.813
 CE2
OH
OH
OH
CD1
OH
 O3'
C3'
OP2
N7
OP2
C7
6k1k 2 P62805 100.0 4e-68 X-RAY
 2020-01-15 TYR B:55 B:51 26.0 0.113 H -58.0 -49.7 26.0 0.113 0.0 DC
DA
DC
DG
DT
HOH
 8.889
9.756
6.411
4.660
8.166
3.713
 CD1
CE2
OH
OH
OH
CB
 OP2
O3'
O3'
OP2
C7
O
TYR F:55 F:51 16.0 0.07 H -58.9 -48.6 16.0 0.07 0.0 DA
DC
DG
DT
DC
HOH
 9.630
6.592
4.577
8.169
8.800
3.491
 CE2
OH
OH
OH
CD1
N
 O3'
C3'
OP2
C7
OP2
O
6kvd 3 P62805 100.0 4e-68 X-RAY
 2019-12-18 TYR D:55 B:51 15.0 0.065 H -65.5 -42.8 15.0 0.065 0.0 DA
DT
DT
DG
DA
DA
HOH
 8.908
9.977
9.320
6.371
4.619
9.712
2.536
 CD1
CE2
CE2
OH
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
OP2
O
TYR H:55 F:51 25.0 0.109 H -63.9 -42.5 25.0 0.109 0.0 DC
DT
DG
DA
DT
HOH
 9.216
6.230
4.319
9.781
8.757
2.569
 CE2
OH
OH
OH
CD1
OH
 O3'
C3'
OP2
N7
OP2
O
6kxv 2 P62805 100.0 4e-68 X-RAY
 2020-07-22 TYR B:55 B:51 35.0 0.152 H -57.2 -35.2 35.0 0.152 0.0 DA
DT
DT
DG
DA
 9.139
9.686
9.378
6.625
4.991
 CE2
OH
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
TYR F:55 F:51 30.0 0.13 H -57.7 -36.3 30.0 0.13 0.0 DC
DT
DG
DA
DT
 9.353
6.691
4.973
9.988
8.826
 OH
OH
OH
OH
CE2
 O3'
C3'
OP2
N7
OP2
6l49 2 P62805 100.0 4e-68 EM
 2019-12-04 TYR B:55 B:51 39.0 0.17 H -61.4 -31.2 39.0 0.17 0.0 DC
DG
DA
DC
DG
DT
 8.436
9.180
8.620
5.762
3.844
7.382
 CE2
CD2
CE2
OH
OH
OH
 OP2
OP2
O3'
C3'
OP2
C7
TYR F:55 F:51 41.0 0.178 H -77.2 -0.9 41.0 0.178 0.0 DC
DC
DC
DG
DA
 8.044
4.946
3.587
8.946
8.732
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
OP2
OP2
TYR L:55 L:51 19.0 0.083 H -69.8 -16.2 19.0 0.083 0.0 DC
DG
DC
DA
DC
DG
DT
 8.434
9.280
8.928
7.695
5.184
4.332
6.787
 CB
OH
CE2
CE2
OH
OH
OH
 OP1
N7
N4
O3'
C3'
OP1
C7
TYR P:55 P:51 22.0 0.096 H -66.3 -41.0 22.0 0.096 0.0 DC
DC
DC
DA
 9.136
5.635
4.965
9.268
 OH
OH
OH
CD1
 O3'
C3'
OP2
OP2
TYR T:55 T:51 14.0 0.061 H -68.3 -39.0 14.0 0.061 0.0 DC
DA
DC
DG
DT
 8.479
9.778
6.341
5.124
7.207
 CD2
OH
OH
OH
OH
 OP2
O3'
C3'
OP1
C7
TYR X:55 X:51 21.0 0.091 H -65.3 -43.2 21.0 0.091 0.0 DC
DC
DC
DG
DA
 7.999
4.564
3.421
8.768
8.768
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
OP2
OP2
6l4a 2 P62805 100.0 4e-68 EM
 2019-12-04 TYR B:55 B:51 15.0 0.065 H -65.6 -26.1 15.0 0.065 0.0 DC
DA
DC
DG
DT
 8.545
8.676
5.699
3.925
7.905
 CG
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR F:55 F:51 20.0 0.087 H -65.7 -42.1 20.0 0.087 0.0 DC
DC
DC
DG
DA
 9.077
5.602
4.185
9.754
9.359
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
OP2
OP2
TYR L:55 L:51 13.0 0.057 H -65.4 -27.0 13.0 0.057 0.0 DC
DA
DC
DG
DT
 8.519
8.534
5.593
4.137
7.497
 CG
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR P:55 P:51 22.0 0.096 H -66.7 -41.2 22.0 0.096 0.0 DC
DC
DC
DG
DA
 8.966
5.575
4.276
9.801
9.197
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
OP2
OP2
TYR T:55 T:51 8.0 0.035 H -64.8 -21.8 8.0 0.035 0.0 DC
DA
DC
DG
DT
 8.567
8.835
5.986
4.112
7.771
 CG
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR X:55 X:51 19.0 0.083 H -67.1 -40.4 19.0 0.083 0.0 DC
DC
DC
DA
 9.221
5.842
4.483
9.192
 CE2
OH
OH
CD1
 O3'
C3'
OP2
OP2
6r8y 2 P62805 100.0 4e-68 EM
 2019-06-12 TYR B:55 B:52 27.0 0.117 H -51.9 -57.9 27.0 0.117 0.0 DC
DA
DT
DG
DT
DG
DA
DA
DC
 9.948
8.425
7.968
9.867
8.423
5.743
4.720
9.076
9.200
 HH
HH
HH
HH
HE2
HH
HH
HH
HH
 H3'
OP2
H72
O6
O3'
H3'
OP2
H62
H41
6r8z 2 P62805 100.0 4e-68 EM
 2019-06-12 TYR B:55 B:52 24.0 0.104 H -55.0 -56.0 24.0 0.104 0.0 DC
DA
DT
DT
DG
DA
DA
 9.793
9.022
8.848
8.949
5.998
4.978
9.379
 HH
HH
HH
HE2
HH
HH
HH
 H3'
OP2
H72
O3'
H3'
OP2
H62
TYR F:55 F:52 17.0 0.074 H -57.0 -53.3 17.0 0.074 0.0 DT
DG
DA
DA
DC
DA
DT
 8.554
5.446
4.195
9.090
9.129
9.487
9.282
 HE2
HH
HH
HH
HH
HB3
HH
 O3'
H3'
OP2
H62
H41
OP2
H72
6r90 2 P62805 100.0 4e-68 EM
 2019-06-12 TYR B:55 B:52 11.0 0.048 H -61.4 -49.8 11.0 0.048 0.0 DA
DT
DT
DG
DA
DA
 8.786
9.411
8.903
5.650
4.759
9.512
 HB3
HE2
HE2
HH
HH
HH
 OP2
H72
O3'
H3'
OP2
OP2
TYR F:55 F:52 13.0 0.057 H -62.5 -48.1 13.0 0.057 0.0 DT
DG
DA
DA
DC
DA
DT
 8.997
5.066
4.964
9.384
9.513
9.643
9.788
 HE2
OH
HH
HH
HH
HB3
HE2
 O3'
H3'
OP2
H62
H41
OP2
H72
6r91 2 P62805 100.0 4e-68 EM
 2019-06-12 TYR B:55 B:52 22.0 0.096 H -61.0 -48.8 22.0 0.096 0.0 DG
DC
DA
DC
DA
DT
 8.956
9.555
8.737
5.566
4.114
6.643
 HB3
HH
HE2
HH
HH
HH
 OP2
H41
O3'
H3'
OP2
H72
TYR F:55 F:52 24.0 0.104 H -61.1 -48.5 24.0 0.104 0.0 DA
DG
DC
DT
DT
DT
DC
DA
 8.371
4.399
3.712
5.826
9.318
8.526
9.406
9.492
 HE2
HH
HH
HH
HB3
HH
HH
HH
 O3'
H3'
OP2
H73
OP2
H72
H41
H61
6r92 5 P62805 100.0 4e-68 EM
 2019-06-12 TYR E:55 B:52 20.0 0.087 H -61.1 -47.5 20.0 0.087 0.0 DT
DC
DT
DG
DA
 8.706
8.771
5.824
4.556
9.300
 HB3
HE2
HH
HH
HH
 OP2
O3'
H3'
OP2
H62
TYR I:55 F:52 22.0 0.096 H -61.1 -47.5 22.0 0.096 0.0 DG
DA
DA
DC
 8.299
4.940
4.327
7.579
 HE2
HH
HH
HH
 O3'
H3'
OP2
H5
6r93 4 P62805 100.0 4e-68 EM
 2019-06-12 TYR D:55 B:52 23.0 0.1 H -60.3 -47.9 23.0 0.1 0.0 DA
DT
DT
DG
DA
DA
DC
 9.107
8.609
8.707
5.834
4.431
8.694
9.421
 HH
HH
HE2
HH
HH
HH
HH
 OP2
H71
O3'
H3'
OP2
H62
H41
TYR H:55 F:52 19.0 0.083 H -60.6 -46.8 19.0 0.083 0.0 DT
DG
DA
DA
DC
DA
DT
 8.558
5.562
4.712
8.919
9.958
9.284
8.766
 HE2
HH
HH
HH
HH
HH
HH
 O3'
H3'
OP2
H62
H41
OP2
H72
6r94 4 P62805 100.0 4e-68 EM
 2019-06-12 TYR D:55 B:52 19.0 0.083 H -60.8 -48.3 19.0 0.083 0.0 DA
DT
DT
DG
DA
DA
 8.854
9.500
8.878
4.795
4.388
9.220
 CE2
HH
HH
HH
HH
HH
 OP2
H72
O3'
H3'
OP2
H62
TYR H:55 F:52 23.0 0.1 H -60.6 -47.7 23.0 0.1 0.0 DT
DG
DA
DA
DC
DA
DT
 8.740
4.425
4.113
9.004
9.781
9.411
9.536
 HE2
HH
HH
HH
HH
HB3
HH
 O3'
H3'
OP2
H62
H41
OP2
H73
6t90 2 P62805 100.0 4e-68 EM
 2020-05-06 TYR B:55 B:52 19.0 0.083 H -57.0 -42.0 19.0 0.083 0.0 DC
DA
DC
DG
DT
 9.024
9.355
6.731
4.692
8.914
 CD2
CE1
OH
OH
OH
 OP2
O3'
O3'
OP2
C7
TYR F:55 F:52 19.0 0.083 H -57.6 -43.8 19.0 0.083 0.0 DC
DC
DC
DA
 9.100
6.764
4.876
8.960
 CE1
OH
OH
CD2
 O3'
C3'
OP2
OP2
6t93 2 P62805 100.0 4e-68 EM
 2020-05-06 TYR B:55 B:52 17.0 0.074 H -58.1 -42.0 17.0 0.074 0.0 DC
DA
DC
DG
DT
 9.151
9.206
6.638
4.776
8.840
 CD2
CE1
OH
OH
OH
 OP2
O3'
O3'
OP2
C7
TYR F:55 F:52 9.0 0.039 H -56.9 -45.7 9.0 0.039 0.0 DC
DC
DC
DA
 9.344
6.490
4.770
9.512
 CE1
OH
OH
CD2
 O3'
C3'
OP2
OP2
6usj 4 P62805 100.0 4e-68 EM
 2020-10-14 TYR D:55 B:51 13.0 0.057 H -65.9 -46.1 13.0 0.057 0.0 DA
DC
DC
DC
DG
 8.233
9.186
6.114
4.906
9.960
 CG
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
N7
TYR H:55 F:51 15.0 0.065 H -63.8 -47.2 15.0 0.065 0.0 DA
DC
DG
DT
DC
 8.201
5.524
4.197
8.208
7.701
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
C7
OP2
TYR N:55 L:51 14.0 0.061 H -65.8 -46.0 14.0 0.061 0.0 DA
DC
DC
DC
DG
 8.236
9.181
6.103
4.916
9.976
 CG
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
N7
TYR R:55 P:51 15.0 0.065 H -63.7 -47.3 15.0 0.065 0.0 DA
DC
DG
DT
DC
 8.194
5.514
4.182
8.169
7.701
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
C7
OP2
6v2k 2 P62805 100.0 4e-68 X-RAY
 2020-11-25 TYR B:55 B:51 17.0 0.074 H -63.0 -51.1 17.0 0.074 0.0 DA
DT
DT
DG
DA
DA
 8.899
9.865
9.437
6.350
4.493
9.461
 CD1
CE2
CE2
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
OP2
TYR F:55 F:51 22.0 0.096 H -62.3 -46.9 22.0 0.096 0.0 DC
DT
DG
DA
DT
 9.145
6.322
4.387
9.642
8.713
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
OP2
OP2
6yov 6 P62805 100.0 4e-68 EM
 2020-05-06 TYR F:55 F:52 12.0 0.052 H -57.0 -40.9 12.0 0.052 0.0 DC
DC
DC
DG
DA
 9.171
6.812
5.018
9.840
8.582
 CE1
OH
OH
OH
CE2
 O3'
C3'
OP2
OP2
OP2
7bxt 2 P62805 100.0 4e-68 EM
 2021-02-10 TYR B:55 B:51 25.0 0.109 H -64.5 -2.7 25.0 0.109 0.0 DC
DA
DC
DG
DT
 9.097
9.266
6.537
5.128
8.187
 CG
CE2
OH
OH
OH
 OP1
O3'
C5'
OP2
C7
TYR F:55 F:51 14.0 0.061 H -62.3 -24.7 14.0 0.061 0.0 DC
DC
DC
DG
DA
 9.868
6.867
4.899
8.673
8.828
 CE2
OH
OH
OH
CD2
 O3'
O3'
OP2
OP2
OP2
7c0m 2 P62805 100.0 4e-68 EM
 2020-09-16 TYR B:55 B:51 23.0 0.1 H -66.6 -45.0 23.0 0.1 0.0 DC
DA
DC
DG
DT
 8.355
9.191
6.440
4.580
8.171
 CE2
OH
OH
OH
OH
 OP2
O3'
O3'
OP2
C7
TYR F:55 F:51 26.0 0.113 H -68.5 -48.2 26.0 0.113 0.0 DC
DC
DC
DG
DA
 8.671
5.816
4.493
9.517
9.117
 CE2
OH
OH
OH
CG
 O3'
C3'
OP2
OP2
OP2
TYR M:55 b:51 23.0 0.1 H -66.7 -45.0 23.0 0.1 0.0 DC
DA
DC
DG
DT
 8.355
9.191
6.441
4.580
8.170
 CE2
OH
OH
OH
OH
 OP2
O3'
O3'
OP2
C7
TYR Q:55 f:51 27.0 0.117 H -68.6 -48.1 27.0 0.117 0.0 DC
DC
DC
DG
DA
 8.671
5.815
4.492
9.516
9.117
 CE2
OH
OH
OH
CG
 O3'
C3'
OP2
OP2
OP2
7d1z 2 P62805 100.0 4e-68 EM
 2021-02-10 TYR B:55 B:51 21.0 0.091 H -72.4 -44.1 21.0 0.091 0.0 DC
DA
DC
DG
DT
 8.997
8.909
6.336
4.546
8.330
 CD2
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR K:55 F:51 23.0 0.1 H -70.3 -49.7 23.0 0.1 0.0 DC
DC
DC
DG
DA
 8.920
5.990
4.586
9.933
8.964
 CE1
OH
OH
OH
CG
 O3'
C3'
OP2
N7
OP2
7d20 2 P62805 100.0 4e-68 EM
 2021-02-10 TYR C:55 B:51 20.0 0.087 H -72.4 -48.1 20.0 0.087 0.0 DC
DA
DC
DG
DT
 8.647
9.225
6.225
4.246
8.073
 CD2
CE2
OH
OH
OH
 OP2
O3'
O3'
OP2
C7
TYR F:55 F:51 22.0 0.096 H -75.2 -48.5 22.0 0.096 0.0 DC
DC
DC
DG
DA
 9.119
5.883
4.219
9.181
8.989
 CE2
OH
OH
OH
CD2
 O3'
C3'
OP2
OP2
OP2
7dbh 2 P62806 100.0 4e-68 EM
 2022-01-19 TYR B:55 B:51 15.0 0.065 H -50.8 -50.1 15.0 0.065 0.0 DC
DA
DC
DG
DT
 8.725
8.972
6.535
4.565
7.939
 CE1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR F:55 F:51 25.0 0.109 H -61.2 -50.6 25.0 0.109 0.0 DC
DC
DC
DG
DA
 9.088
6.126
4.276
8.878
9.075
 CE2
OH
OH
OH
CE1
 O3'
C3'
OP2
OP2
OP2
7scy 4 P62805 100.0 4e-68 EM
 2022-01-12 TYR D:55 B:51 21.0 0.091 H -61.5 -49.1 21.0 0.091 0.0 DA
DC
DG
DT
DA
DC
DC
 7.447
4.855
4.437
7.271
9.931
7.853
9.477
 HH
HH
HH
HH
HB3
HB3
HE2
 O3'
H3'
OP2
H72
H3'
OP2
H42
TYR H:55 F:51 28.0 0.122 H -60.3 -55.7 28.0 0.122 0.0 DA
DA
DC
DC
DC
DC
DG
 9.761
7.924
9.502
7.777
5.772
4.807
9.835
 HE1
HB3
HE2
HE2
OH
HH
OH
 H3'
OP2
H5
O3'
H3'
OP2
N7
7scz 4 P62805 100.0 4e-68 EM
 2022-01-19 TYR D:55 B:51 14.0 0.061 H -62.4 -50.7 14.0 0.061 0.0 DA
DC
DG
DT
DA
DC
DC
 7.682
4.426
4.119
7.489
9.867
7.960
9.675
 HE2
HH
HH
HH
HB3
HB3
HE2
 O3'
H3'
OP2
H73
H3'
OP2
H42
TYR H:55 F:51 26.0 0.113 H -66.5 -50.7 26.0 0.113 0.0 DA
DC
DC
DC
DC
DG
 8.390
9.734
8.568
5.258
4.190
9.837
 HB3
HE2
HE2
OH
HH
HH
 OP2
H5
O3'
H3'
OP2
OP2
7vbm 2 P62806 100.0 4e-68 EM
 2022-01-19 TYR B:55 B:51 22.0 0.096 H -62.5 -45.4 22.0 0.096 0.0 DC
DA
DC
DG
DT
 8.832
8.804
6.482
4.702
8.382
 CE1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR F:55 F:51 27.0 0.117 H -63.0 -39.7 27.0 0.117 0.0 DC
DC
DC
DA
 8.750
6.152
4.427
9.127
 OH
OH
OH
CD2
 O3'
C3'
OP2
OP2
5av5 2 P62805 100.0 5e-68 X-RAY
 2015-12-23 TYR B:53 B:51 29.0 0.126 H -65.3 -38.7 29.0 0.126 0.0 DT
DC
DT
DG
DA
HOH
 8.743
9.345
6.357
4.459
9.508
3.648
 CD1
CE2
OH
OH
OH
N
 OP2
O3'
C3'
OP2
OP2
O
TYR F:53 F:51 33.0 0.143 H -63.9 -38.5 33.0 0.143 0.0 DC
DT
DG
DA
DT
HOH
 9.486
6.446
4.449
9.669
9.012
2.611
 CE2
OH
OH
OH
CD1
OH
 O3'
O3'
OP2
OP2
OP2
O
5av6 2 P62805 100.0 5e-68 X-RAY
 2015-12-23 TYR B:53 B:51 23.0 0.1 H -65.4 -43.9 23.0 0.1 0.0 DT
DC
DT
DG
DA
HOH
 8.799
9.454
6.452
4.525
9.702
2.862
 CD1
CE2
OH
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
O
TYR F:53 F:51 32.0 0.139 H -67.1 -42.6 32.0 0.139 0.0 DC
DT
DG
DA
DT
HOH
 9.458
6.423
4.498
9.758
9.042
2.761
 CE2
OH
OH
OH
CD1
OH
 O3'
C3'
OP2
OP2
OP2
O
5av8 2 P62805 100.0 5e-68 X-RAY
 2015-12-23 TYR B:53 B:51 22.0 0.096 H -65.6 -43.9 22.0 0.096 0.0 DT
DC
DT
DG
DA
HOH
 8.858
9.330
6.399
4.461
9.643
2.848
 CD1
CE2
OH
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
O
TYR F:53 F:51 31.0 0.135 H -65.2 -46.8 31.0 0.135 0.0 DC
DT
DG
DA
DT
HOH
 9.365
6.440
4.467
9.779
9.037
2.667
 CE2
OH
OH
OH
CD1
OH
 O3'
O3'
OP2
OP2
OP2
O
5av9 2 P62805 100.0 5e-68 X-RAY
 2015-12-23 TYR B:53 B:51 22.0 0.096 H -65.1 -44.8 22.0 0.096 0.0 DT
DC
DT
DG
DA
HOH
 8.762
9.361
6.435
4.486
9.634
2.866
 CD1
CE2
OH
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
O
TYR F:53 F:51 33.0 0.143 H -64.5 -45.3 33.0 0.143 0.0 DC
DT
DG
DA
DT
HOH
 9.470
6.456
4.545
9.785
9.002
2.653
 CE2
OH
OH
OH
CD1
OH
 O3'
C3'
OP2
OP2
OP2
O
5avb 2 P62805 100.0 5e-68 X-RAY
 2015-12-23 TYR B:53 B:51 28.0 0.122 H -65.1 -37.3 28.0 0.122 0.0 DT
DC
DT
DG
DA
HOH
 8.853
9.329
6.419
4.519
9.485
3.576
 CD1
CE2
OH
OH
OH
N
 OP2
O3'
C3'
OP2
OP2
O
TYR F:53 F:51 29.0 0.126 H -64.5 -42.8 29.0 0.126 0.0 DC
DT
DG
DA
DT
HOH
 9.410
6.408
4.519
9.724
8.908
3.470
 CE2
OH
OH
OH
CD1
N
 O3'
C3'
OP2
OP2
OP2
O
5avc 2 P62805 100.0 5e-68 X-RAY
 2015-12-23 TYR B:53 B:51 28.0 0.122 H -67.1 -38.3 28.0 0.122 0.0 DT
DC
DT
DG
DA
HOH
 8.832
9.308
6.415
4.519
9.612
5.801
 CD1
CE2
OH
OH
OH
N
 OP2
O3'
C3'
OP2
OP2
O
TYR F:53 F:51 31.0 0.135 H -65.1 -43.0 31.0 0.135 0.0 DC
DT
DG
DA
DT
HOH
 9.566
6.520
4.545
9.754
8.948
2.706
 CE2
OH
OH
OH
CD1
OH
 O3'
C3'
OP2
OP2
OP2
O
7lya 2 P62805 100.0 8e-68 EM
 2021-07-28 TYR B:56 B:51 27.0 0.117 H -50.9 -59.6 27.0 0.117 0.0 DC
DA
DC
DG
DT
 9.319
9.181
6.477
4.749
8.614
 CG
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR E:56 F:51 20.0 0.087 H -59.5 -52.5 20.0 0.087 0.0 DC
DC
DC
DA
 9.205
6.346
4.926
9.323
 CE2
OH
OH
CG
 O3'
C3'
OP2
OP2
7lyb 2 P62805 100.0 8e-68 EM
 2021-07-28 TYR B:56 B:51 19.0 0.083 H -62.8 -44.5 19.0 0.083 0.0 DC
DA
DC
DG
DT
 9.224
9.247
6.666
4.878
8.608
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR E:56 F:51 22.0 0.096 H -63.1 -45.1 22.0 0.096 0.0 DC
DC
DC
DG
DA
 9.040
5.952
4.703
9.824
9.322
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
OP2
OP2
7lyc 2 P62805 100.0 8e-68 EM
 2021-06-16 TYR B:56 B:51 19.0 0.083 H -57.7 -54.7 19.0 0.083 0.0 DC
DA
DC
DG
DT
 9.019
8.935
6.267
4.364
8.208
 CG
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR E:56 F:51 19.0 0.083 H -56.8 -53.2 19.0 0.083 0.0 DC
DC
DC
DG
DA
 8.869
5.963
4.587
9.769
9.118
 CE2
OH
OH
OH
CG
 O3'
C3'
OP2
OP2
OP2
3azi 2 P62805 99.03 9e-68 X-RAY
 2011-09-21 TYR B:55 B:51 23.0 0.1 H -36.0 -47.6 23.0 0.1 0.0 DA
DT
DG
DA
DA
HOH
 8.919
9.327
6.420
4.649
9.769
6.495
 CD1
CE2
OH
OH
OH
N
 OP2
O3'
C3'
OP2
OP2
O
TYR F:55 F:51 22.0 0.096 H -55.2 -44.2 22.0 0.096 0.0 DC
DT
DG
DA
DT
HOH
 9.523
6.634
4.674
9.657
9.073
3.637
 CE2
OH
OH
OH
CD1
CB
 O3'
C3'
OP2
OP2
OP2
O
3azj 2 P62805 99.03 9e-68 X-RAY
 2011-09-21 TYR B:55 B:51 19.0 0.083 H -53.3 -53.7 19.0 0.083 0.0 DA
DT
DG
DA
DA
 8.809
9.259
6.355
4.441
9.340
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
TYR F:55 F:51 24.0 0.104 H -50.6 -37.8 24.0 0.104 0.0 DC
DT
DG
DA
DT
 9.398
6.462
4.355
9.152
8.823
 CE2
OH
OH
OH
CD1
 O3'
O3'
OP2
OP2
OP2
3azn 2 P62805 99.03 9e-68 X-RAY
 2011-09-21 TYR B:55 B:51 14.0 0.061 H -47.3 -50.7 14.0 0.061 0.0 DA
DT
DG
DA
DA
 8.877
9.291
6.317
4.460
9.422
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
TYR F:55 F:51 26.0 0.113 H -43.7 -51.8 26.0 0.113 0.0 DC
DT
DG
DA
DT
 9.487
6.532
4.606
9.568
8.979
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
OP2
OP2
3azm 2 P62805 99.03 9e-68 X-RAY
 2011-09-21 TYR B:55 B:51 18.0 0.078 H -29.1 -45.2 18.0 0.078 0.0 DA
DT
DT
DG
DA
DA
 8.729
9.861
9.338
6.521
4.313
9.458
 CD1
CE2
CE2
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
OP2
TYR F:55 F:51 31.0 0.135 H -49.1 -40.5 31.0 0.135 0.0 DC
DT
DG
DA
DT
 9.537
6.568
4.584
9.474
9.199
 CE2
OH
OH
OH
CD1
 O3'
O3'
OP2
OP2
OP2
3azk 2 P62805 99.03 9e-68 X-RAY
 2011-09-21 TYR B:55 B:51 18.0 0.078 H -68.3 -60.1 18.0 0.078 0.0 DA
DT
DG
DA
DA
CL
 8.716
9.230
6.584
4.821
9.701
9.924
 CD1
CE2
OH
OH
OH
N
 OP2
O3'
C3'
OP2
OP2
CL
TYR F:55 F:51 25.0 0.109 H -62.7 -50.2 25.0 0.109 0.0 DC
DT
DG
DA
DT
 9.495
6.616
4.627
9.654
8.781
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
OP2
OP2
3azl 2 P62805 99.03 9e-68 X-RAY
 2011-09-21 TYR B:55 B:51 18.0 0.078 H -57.5 -52.9 18.0 0.078 0.0 DA
DT
DG
DA
DA
HOH
 8.899
9.450
6.344
4.733
9.644
3.533
 CD1
CE2
OH
OH
OH
CB
 OP2
O3'
C3'
OP2
OP2
O
TYR F:55 F:51 26.0 0.113 H -60.4 -39.0 26.0 0.113 0.0 DC
DT
DG
DA
DT
HOH
 9.481
6.401
4.565
9.665
8.866
2.677
 CE2
OH
OH
OH
CD1
OH
 O3'
C3'
OP2
OP2
OP2
O
4uuz 2 P84040 99.03 1e-67 X-RAY
 2015-02-11 TYR B:52 B:51 29.0 0.126 H -53.7 -52.2 9.0 0.039 0.087 C:P49736:0.087
6pwe 2 A0A0B4KFZ9 99.03 1e-67 EM
 2019-08-21 TYR B:52 B:51 23.0 0.1 H -64.8 -17.6 23.0 0.1 0.0 DA
DC
DC
DC
DG
 8.360
9.238
6.391
4.374
9.579
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
TYR F:52 F:51 21.0 0.091 H -64.8 -17.5 21.0 0.091 0.0 DA
DC
DG
DT
DC
 9.280
6.633
4.457
8.381
8.617
 CE2
OH
OH
OH
CD1
 O3'
O3'
OP2
C7
OP2
6pwf 2 A0A0B4KFZ9 99.03 1e-67 EM
 2019-08-21 TYR B:52 B:51 19.0 0.083 H -69.0 -3.7 19.0 0.083 0.0 DA
DC
DC
DC
 9.310
8.931
5.854
4.473
 CD1
CE2
OH
OH
 OP2
O3'
C3'
OP2
TYR F:52 F:51 25.0 0.109 H -70.8 -9.8 25.0 0.109 0.0 DA
DC
DG
DT
DC
 9.692
6.488
4.884
9.355
9.079
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
C7
OP2
6xws 2 A0A0B4KFZ9 99.03 1e-67 X-RAY
 2020-04-15 TYR B:52 B:52 29.0 0.126 H -54.5 -51.3 29.0 0.126 0.0
6xwt 2 A0A0B4KFZ9 99.03 1e-67 X-RAY
 2020-04-01 TYR B:52 B:52 38.0 0.165 H -58.3 -46.4 38.0 0.165 0.0
TYR D:52 D:52 28.0 0.122 H -55.5 -51.8 28.0 0.122 0.0
6c0w 2 P62805 100.0 2e-67 EM
 2018-01-17 TYR B:52 B:51 35.0 0.152 H -61.2 -26.5 35.0 0.152 0.0 DC
DA
DC
DG
DT
 8.358
9.868
7.417
5.341
8.282
 CE2
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR F:52 F:51 37.0 0.161 H -62.7 -7.0 37.0 0.161 0.0 DC
DC
DC
DG
DA
 9.939
6.728
5.193
9.381
8.173
 CE2
OH
OH
OH
CE1
 O3'
C3'
OP2
OP2
OP2
7by0 2 P62805 100.0 2e-67 EM
 2021-02-10 TYR B:52 B:51 43.0 0.187 H -66.1 -17.6 43.0 0.187 0.0 DA
DC
DC
DA
DC
DG
DT
 8.536
8.673
9.818
9.778
7.217
5.899
7.646
 OH
CE2
OH
OH
OH
OH
OH
 OP2
OP2
N4
O3'
C3'
OP2
C7
TYR F:52 F:51 37.0 0.161 H -68.2 -17.7 37.0 0.161 0.0 DC
DC
DC
DG
DC
DA
DA
 9.019
6.816
5.670
9.320
9.965
9.650
8.035
 OH
OH
OH
OH
OH
CE2
CD2
 O3'
OP2
OP2
N7
N4
C3'
OP2
2hio 4 P62801 99.03 4e-67 X-RAY
 2000-01-12 TYR D:52 D:51 15.0 0.065 H -72.3 -39.6 15.0 0.065 0.0
5b40 2 P62805 99.03 4e-67 X-RAY
 2016-06-22 TYR B:55 B:51 22.0 0.096 H -61.6 -37.5 22.0 0.096 0.0 DA
DT
DG
DA
DA
 8.926
9.420
6.985
5.185
9.987
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
TYR F:55 F:51 38.0 0.165 H -60.8 -42.2 38.0 0.165 0.0 DC
DT
DG
DA
DT
 9.251
7.000
5.265
9.809
8.716
 CE2
CE2
OH
OH
CE1
 O3'
OP2
OP2
OP2
OP2
1kx3 3 P62799 100.0 5e-67 X-RAY
 2002-12-25 TYR D:51 B:51 15.0 0.065 H -57.2 -48.9 15.0 0.065 0.0 DA
DT
DT
DG
DA
DA
HOH
 9.002
9.580
9.649
6.022
4.475
9.644
2.746
 CD1
CE2
CE2
OH
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
OP2
O
TYR H:51 F:51 18.0 0.078 H -59.5 -48.2 18.0 0.078 0.0 DC
DT
DG
DA
DT
HOH
 9.493
6.416
4.513
9.913
8.815
2.873
 CE1
OH
OH
OH
CD2
OH
 O3'
C3'
OP2
OP2
OP2
O
1kx4 3 P02304 100.0 5e-67 X-RAY
 2002-12-25 TYR D:51 B:51 18.0 0.078 H -57.3 -41.5 18.0 0.078 0.0 DA
DT
DG
DA
DA
HOH
 8.709
9.178
6.184
4.735
9.913
3.423
 CG
OH
OH
OH
OH
N
 OP2
O3'
C3'
OP2
N7
O
TYR H:51 F:51 23.0 0.1 H -54.5 -38.8 23.0 0.1 0.0 DT
DT
DG
DA
DA
HOH
 9.490
6.436
4.614
9.791
8.579
3.744
 CE1
OH
OH
OH
CD2
CB
 O3'
C3'
OP2
OP2
OP2
O
1kx5 4 P02304 100.0 5e-67 X-RAY
 2002-12-25 TYR D:51 B:51 18.0 0.078 H -58.2 -48.8 18.0 0.078 0.0 DT
DC
DT
DG
DA
HOH
 8.591
9.592
6.402
4.557
9.868
2.992
 CD1
CE2
OH
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
O
TYR H:51 F:51 24.0 0.104 H -64.6 -46.0 24.0 0.104 0.0 DC
DT
DG
DA
DT
HOH
 9.472
6.263
4.390
9.815
8.877
2.751
 CE1
OH
OH
OH
CD2
OH
 O3'
C3'
OP2
N7
OP2
O
1m18 3 P02304 100.0 5e-67 X-RAY
 2003-02-18 TYR D:51 B:51 17.0 0.074 H -60.5 -46.9 17.0 0.074 0.0 DA
DT
DG
DA
DA
HOH
 8.768
9.764
6.179
4.671
9.591
3.531
 CD1
CE2
OH
OH
OH
N
 OP2
O3'
C3'
OP2
OP2
O
TYR H:51 F:251 18.0 0.078 H -59.5 -43.2 18.0 0.078 0.0 DC
DT
DG
DA
DT
HOH
 9.490
6.281
4.464
9.734
8.952
2.673
 CE2
OH
OH
OH
CD1
OH
 O3'
C3'
OP2
OP2
OP2
O
1m19 3 P02304 100.0 5e-67 X-RAY
 2003-02-18 TYR D:51 B:51 21.0 0.091 H -62.1 -45.7 21.0 0.091 0.0 DA
DT
DG
DA
DA
HOH
 8.701
9.627
6.151
4.618
9.617
3.483
 CD1
CE2
OH
OH
OH
CB
 OP2
O3'
C3'
OP2
OP2
O
TYR H:51 F:251 19.0 0.083 H -57.8 -47.9 19.0 0.083 0.0 DC
DT
DG
DA
DT
HOH
 9.504
6.326
4.559
9.759
8.849
2.599
 CE2
OH
OH
OH
CD1
OH
 O3'
C3'
OP2
OP2
OP2
O
1m1a 3 P02304 100.0 5e-67 X-RAY
 2003-02-18 TYR D:51 B:51 16.0 0.07 H -52.1 -49.7 16.0 0.07 0.0 DT
DC
DT
DG
DA
HOH
 8.775
9.210
6.185
4.380
9.701
2.855
 CD1
CE2
OH
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
O
TYR H:51 F:251 20.0 0.087 H -60.5 -53.0 20.0 0.087 0.0 DT
DG
DA
DA
DA
DT
HOH
 9.643
6.384
4.920
9.843
8.614
9.834
3.251
 CE2
OH
OH
OH
CD1
OH
CB
 O3'
C3'
OP2
OP2
OP2
C7
O
1p34 3 P62799 100.0 5e-67 X-RAY
 2004-02-24 TYR D:51 B:51 16.0 0.07 H -61.0 -53.0 16.0 0.07 0.0 DA
DT
DG
DA
DA
 8.674
9.087
6.485
4.810
9.551
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
TYR H:51 F:251 17.0 0.074 H -62.1 -43.8 17.0 0.074 0.0 DC
DT
DG
DA
DT
HOH
 8.611
6.199
4.342
9.958
9.110
2.417
 CE2
OH
OH
OH
CD1
OH
 O3'
C3'
OP2
N7
OP2
O
1p3a 3 P62799 100.0 5e-67 X-RAY
 2004-02-24 TYR D:51 B:51 15.0 0.065 H -69.9 -51.8 15.0 0.065 0.0 DA
DT
DT
DG
DA
DA
 8.873
9.949
9.033
5.808
4.403
9.526
 CD1
OH
CE2
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
N7
TYR H:51 F:251 17.0 0.074 H -58.5 -42.0 17.0 0.074 0.0 DC
DT
DG
DA
DT
HOH
 8.508
5.851
4.285
9.786
9.080
9.794
 CE1
OH
OH
OH
CD2
O
 O3'
C3'
OP2
N7
OP2
O
1p3k 3 P62799 100.0 5e-67 X-RAY
 2004-02-24 TYR D:51 B:51 20.0 0.087 H -44.6 -46.9 20.0 0.087 0.0 DA
DT
DG
DA
DA
HOH
 9.080
9.341
5.826
4.150
9.174
3.240
 CD1
CE2
OH
OH
OH
CB
 OP2
O3'
C3'
OP2
OP2
O
TYR H:51 F:251 21.0 0.091 H -61.0 -41.3 21.0 0.091 0.0 DC
DT
DG
DA
DT
HOH
 8.995
5.953
4.264
9.615
8.873
3.387
 CE1
OH
OH
OH
CD2
N
 O3'
C3'
OP2
OP2
OP2
O
1p3l 3 P62799 100.0 5e-67 X-RAY
 2004-02-24 TYR D:51 B:51 17.0 0.074 H -58.9 -44.5 17.0 0.074 0.0 DA
DT
DG
DA
DA
HOH
 9.045
9.346
5.912
4.106
9.162
3.323
 CD1
CE2
OH
OH
OH
CB
 OP2
O3'
C3'
OP2
OP2
O
TYR H:51 F:251 21.0 0.091 H -60.0 -49.3 21.0 0.091 0.0 DC
DT
DG
DA
DT
HOH
 9.172
6.440
4.195
9.525
8.835
2.795
 CE1
OH
OH
OH
CD2
OH
 O3'
C3'
OP2
OP1
OP2
O
1p3m 3 P62799 100.0 5e-67 X-RAY
 2004-02-24 TYR D:51 B:51 15.0 0.065 H -56.3 -42.1 15.0 0.065 0.0 DA
DT
DG
DA
DA
 8.560
9.077
6.292
4.387
9.146
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
TYR H:51 F:251 18.0 0.078 H -59.2 -47.7 18.0 0.078 0.0 DC
DT
DG
DA
DT
HOH
 8.972
6.289
4.214
9.073
8.754
5.662
 CE1
OH
OH
OH
CD2
O
 O3'
C3'
OP2
OP2
OP2
O
1s32 3 P02304 100.0 5e-67 X-RAY
 2004-05-11 TYR D:51 B:51 18.0 0.078 H -53.0 -48.8 18.0 0.078 0.0 DA
DT
DT
DG
DA
DA
HOH
 8.971
9.848
9.028
6.022
4.473
9.449
2.721
 CD1
OH
CE2
OH
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
OP2
O
TYR H:51 F:251 15.0 0.065 H -58.2 -46.9 15.0 0.065 0.0 DC
DT
DG
DA
DT
HOH
 9.222
6.343
4.474
9.852
9.010
2.619
 CE1
OH
OH
OH
CD2
OH
 O3'
C3'
OP2
N7
OP2
O
1zbb 4 P62799 100.0 5e-67 X-RAY
 2005-07-12 TYR D:51 B:51 17.0 0.074 H -58.1 -48.7 17.0 0.074 0.0 DC
DT
DG
DA
DT
 9.588
6.403
4.556
9.848
8.569
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
OP2
OP2
TYR H:51 F:51 25.0 0.109 H -64.6 -45.9 25.0 0.109 0.0 DT
DC
DT
DG
DA
 8.856
9.466
6.260
4.388
9.804
 CD2
CE1
OH
OH
OH
 OP2
O3'
C3'
OP2
N7
TYR L:51 b:51 18.0 0.078 H -58.2 -48.8 18.0 0.078 0.0 DC
DT
DG
DA
DT
 9.593
6.400
4.553
9.846
8.573
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
OP2
OP2
TYR P:51 f:51 25.0 0.109 H -64.6 -45.9 25.0 0.109 0.0 DT
DC
DT
DG
DA
 8.856
9.462
6.260
4.390
9.808
 CD2
CE1
OH
OH
OH
 OP2
O3'
C3'
OP2
N7
1zla 3 P62799 100.0 5e-67 X-RAY
 2006-02-28 TYR D:51 B:51 15.0 0.065 H -48.8 -53.1 15.0 0.065 0.0 DA
DT
DG
DA
DA
HOH
 8.965
8.924
6.000
4.395
9.269
6.195
 CD1
CE2
OH
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
O
TYR H:51 F:251 18.0 0.078 H -47.8 -47.0 18.0 0.078 0.0 DC
DT
DG
DA
DT
HOH
 9.306
6.382
4.546
9.569
8.685
2.825
 CE1
OH
OH
OH
CD2
OH
 O3'
C3'
OP2
OP2
OP2
O
2fj7 4 P62799 100.0 5e-67 X-RAY
 2006-09-26 TYR D:51 B:51 25.0 0.109 H -33.3 -45.9 25.0 0.109 0.0 DC
DT
DG
DA
DA
DT
 9.174
6.811
4.976
9.765
9.794
8.361
 CE2
OH
OH
OH
CE1
CE1
 O3'
O3'
OP1
N7
OP1
OP2
TYR H:51 F:51 30.0 0.13 H -34.8 -26.2 30.0 0.13 0.0 DC
DT
DA
DA
DA
DT
 7.986
9.096
8.813
5.248
3.459
6.666
 CD2
CE2
CE1
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
C7
2io5 3 P62799 100.0 5e-67 X-RAY
 2007-02-27 TYR C:51 C:51 35.0 0.152 H -63.6 -51.1 35.0 0.152 0.0
2nzd 4 P62799 100.0 5e-67 X-RAY
 2007-04-10 TYR D:51 B:51 18.0 0.078 H -64.5 -48.7 18.0 0.078 0.0 DA
DT
DG
DA
DA
HOH
 9.224
8.973
5.955
4.616
9.552
3.497
 CD1
CE2
OH
OH
OH
CB
 OP2
O3'
C3'
OP2
N7
O
TYR H:51 F:51 18.0 0.078 H -61.1 -40.3 18.0 0.078 0.0 DT
DG
DA
DA
DA
DT
HOH
 9.542
6.239
4.597
9.557
9.062
9.536
3.426
 CE1
OH
OH
OH
CD2
OH
N
 O3'
C3'
OP2
N7
OP2
C7
O
3b6f 4 P62799 100.0 5e-67 X-RAY
 2007-12-25 TYR D:51 B:51 12.0 0.052 H -53.8 -44.4 12.0 0.052 0.0 DT
DC
DT
DG
DA
 8.026
9.207
6.498
4.172
9.578
 CD1
CE2
OH
OH
OH
 OP2
O3'
O3'
OP2
N7
TYR H:51 F:51 37.0 0.161 H -48.1 -44.2 37.0 0.161 0.0 DC
DT
DG
DA
DT
 9.176
6.229
4.000
9.705
8.028
 CE1
OH
OH
OH
CD2
 O3'
O3'
OP2
OP2
OP2
3b6g 4 P62799 100.0 5e-67 X-RAY
 2007-12-25 TYR D:51 B:51 9.0 0.039 H -53.6 -41.2 9.0 0.039 0.0 DT
DC
DT
DG
DA
 8.497
9.087
6.542
4.322
9.569
 CD1
CE2
OH
OH
OH
 OP2
O3'
O3'
OP2
OP2
TYR H:51 F:51 29.0 0.126 H -51.5 -45.4 29.0 0.126 0.0 DC
DT
DG
DA
DT
 9.628
6.205
4.101
9.495
8.676
 CE1
OH
OH
OH
CD2
 O3'
O3'
OP2
OP2
OP2
3c1b 2 P62799 100.0 5e-67 X-RAY
 2008-10-07 TYR B:51 B:51 13.0 0.057 H -53.5 -45.5 13.0 0.057 0.0 DA
DT
DG
DA
DA
HOH
 8.875
9.476
5.993
4.469
9.564
2.815
 CD1
CE2
OH
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
O
TYR F:51 F:251 25.0 0.109 H -55.8 -49.5 25.0 0.109 0.0 DC
DT
DG
DA
DT
HOH
 9.518
6.370
4.499
9.749
9.036
2.674
 CE1
OH
OH
OH
CD2
OH
 O3'
C3'
OP2
OP2
OP2
O
3c1c 2 P62799 100.0 5e-67 X-RAY
 2008-10-07 TYR B:51 B:51 17.0 0.074 H -71.0 -55.8 17.0 0.074 0.0 DA
DT
DG
DA
DA
HOH
 8.749
9.332
6.306
4.959
9.870
9.317
 CD1
CE2
OH
OH
OH
O
 OP2
O3'
C3'
OP2
OP2
O
TYR F:51 F:251 26.0 0.113 H -43.4 -53.2 26.0 0.113 0.0 DC
DT
DG
DA
DT
HOH
 9.475
6.235
4.357
9.344
8.982
3.778
 CE1
OH
OH
OH
CD2
CB
 O3'
C3'
OP2
OP2
OP2
O
3c9k 4 P62801 100.0 5e-67 EM
 2009-01-06 TYR D:51 D:51 15.0 0.065 H -72.3 -39.7 15.0 0.065 0.0
TYR H:51 H:51 15.0 0.065 H -72.4 -39.6 15.0 0.065 0.0
3kuy 2 P62799 100.0 5e-67 X-RAY
 2010-01-05 TYR B:51 B:51 17.0 0.074 H -66.0 -36.0 17.0 0.074 0.0 DA
DT
DG
DA
DA
 8.990
8.904
5.928
4.511
9.576
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
N7
TYR F:51 F:51 21.0 0.091 H -60.8 -45.8 21.0 0.091 0.0 DT
DG
DA
DA
DA
DT
 9.391
6.257
4.861
9.472
8.997
9.571
 CE1
OH
OH
OH
CD2
OH
 O3'
C3'
OP2
N7
OP2
C7
3kxb 2 P62799 100.0 5e-67 X-RAY
 2010-06-23 TYR B:51 B:51 16.0 0.07 H -78.1 -33.8 16.0 0.07 0.0 DA
DT
DT
DG
DA
DA
HOH
 9.109
9.868
9.334
5.942
4.071
8.894
7.934
 CD1
OH
CE2
OH
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
OP2
O
TYR F:51 F:51 27.0 0.117 H -60.1 -47.5 27.0 0.117 0.0 DC
DT
DG
DA
DT
HOH
 9.134
6.422
4.166
9.606
8.860
9.280
 CE1
OH
OH
OH
CD2
O
 O3'
C3'
OP2
OP1
OP2
O
3lel 2 P62799 100.0 5e-67 X-RAY
 2010-05-19 TYR B:51 B:51 18.0 0.078 H -69.9 -48.7 18.0 0.078 0.0 DT
DA
DA
DG
 8.714
9.614
6.401
4.675
 CB
CE2
OH
OH
 OP1
O3'
C3'
OP2
TYR F:51 F:51 21.0 0.091 H -52.5 -42.3 21.0 0.091 0.0 DA
DA
DG
DA
DT
 9.284
6.285
4.262
9.766
9.105
 CE1
OH
OH
OH
CB
 O3'
C3'
OP2
OP2
OP1
TYR L:51 L:51 13.0 0.057 H -55.7 -43.0 NA NA NA
TYR P:51 P:51 29.0 0.126 H -65.8 -43.0 NA NA NA
3lja 2 P62799 100.0 5e-67 X-RAY
 2010-04-14 TYR B:51 B:51 20.0 0.087 H -71.3 -44.7 20.0 0.087 0.0 DT
DC
DT
DG
DA
 8.708
9.380
6.386
4.518
9.818
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
TYR F:51 F:51 29.0 0.126 H -66.5 -45.4 29.0 0.126 0.0 DC
DT
DG
DA
DT
 9.520
6.536
4.681
9.946
8.951
 CE1
OH
OH
OH
CD2
 O3'
C3'
OP2
N7
OP2
3lz0 2 P62799 100.0 5e-67 X-RAY
 2010-09-15 TYR B:51 B:51 20.0 0.087 H -55.6 -36.6 20.0 0.087 0.0 DC
DA
DC
DG
DT
 8.557
9.088
6.081
4.372
8.003
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR F:51 F:51 21.0 0.091 H -48.5 -53.0 21.0 0.091 0.0 DC
DC
DC
DG
DA
 9.147
6.182
4.494
9.741
8.652
 CE1
OH
OH
OH
CD2
 O3'
C3'
OP2
N7
OP2
3lz1 2 P62799 100.0 5e-67 X-RAY
 2010-09-15 TYR B:51 B:51 19.0 0.083 H -49.2 -46.4 19.0 0.083 0.0 DA
DC
DC
DC
DG
 8.606
9.073
6.157
4.324
9.195
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
O6
TYR F:51 F:51 20.0 0.087 H -45.1 -53.3 20.0 0.087 0.0 DA
DC
DG
DT
DC
 9.176
6.406
4.533
8.418
8.586
 CE1
OH
OH
OH
CD2
 O3'
C3'
OP2
C7
OP2
3mgp 2 P62799 100.0 5e-67 X-RAY
 2010-06-16 TYR B:51 B:51 17.0 0.074 H -65.0 -43.4 17.0 0.074 0.0 DA
DT
DT
DG
DA
DA
CO
 8.746
9.745
8.957
5.963
4.821
9.537
9.327
 CD1
OH
CE2
OH
OH
OH
CE2
 OP2
C7
O3'
C3'
OP2
N7
CO
TYR F:51 F:51 25.0 0.109 H -58.9 -43.1 25.0 0.109 0.0 DG
DC
DT
DG
DG
DT
 9.354
6.151
4.541
9.483
9.048
9.785
 CE1
OH
OH
OH
CD2
OH
 O3'
O3'
OP2
OP2
OP2
C7
3mgq 2 P62799 100.0 5e-67 X-RAY
 2010-06-16 TYR B:51 B:51 16.0 0.07 H -66.5 -51.0 16.0 0.07 0.0 DA
DT
DT
DG
DA
DA
NI
 8.909
9.830
9.261
6.104
4.636
9.484
9.757
 CD1
OH
CE2
OH
OH
OH
CE2
 OP2
C7
O3'
C3'
OP2
N7
NI
TYR F:51 F:51 25.0 0.109 H -59.5 -47.0 25.0 0.109 0.0 DG
DC
DT
DG
DG
DT
 9.326
6.508
4.715
9.550
8.927
9.654
 CE1
OH
OH
OH
CD2
OH
 O3'
O3'
OP2
OP2
OP2
C7
3mgr 2 P62799 100.0 5e-67 X-RAY
 2010-06-16 TYR B:51 B:51 18.0 0.078 H -66.3 -41.8 18.0 0.078 0.0 DT
DC
DT
DG
DA
 8.629
9.200
6.229
4.415
9.733
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
N7
TYR F:51 F:51 27.0 0.117 H -61.3 -50.4 27.0 0.117 0.0 DC
DT
DG
DA
DT
 9.404
6.481
4.596
9.836
8.900
 CE1
OH
OH
OH
CD2
 O3'
O3'
OP2
OP2
OP2
3mgs 2 P62799 100.0 5e-67 X-RAY
 2010-06-16 TYR B:51 B:51 15.0 0.065 H -66.3 -42.8 15.0 0.065 0.0 DT
DC
DT
DG
DA
 8.619
9.043
6.180
4.332
9.593
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
N7
TYR F:51 F:51 24.0 0.104 H -62.3 -45.3 24.0 0.104 0.0 DC
DT
DG
DA
DT
 9.463
6.582
4.597
9.696
8.810
 CE1
OH
OH
OH
CD2
 O3'
C3'
OP2
N7
OP2
3mnn 2 P62799 100.0 5e-67 X-RAY
 2011-04-06 TYR B:51 B:51 17.0 0.074 H -62.3 -47.1 17.0 0.074 0.0 DA
DT
DT
DG
DA
DA
 8.780
9.957
8.811
6.038
4.706
9.456
 CD1
CE2
CE2
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
N7
TYR F:51 F:51 19.0 0.083 H -54.5 -50.4 19.0 0.083 0.0 DT
DG
DA
DA
DA
DT
HOH
 9.516
6.388
4.701
9.710
9.083
9.757
3.530
 CE1
OH
OH
OH
CD2
CE1
CB
 O3'
C3'
OP2
N7
OP2
C7
O
3mvd 2 P62799 100.0 5e-67 X-RAY
 2010-08-25 TYR B:51 B:51 13.0 0.057 H -62.3 -48.8 13.0 0.057 0.0 DC
DC
DC
DG
DA
 8.615
6.028
4.284
9.579
8.908
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
N7
OP2
TYR F:51 F:51 19.0 0.083 H -58.9 -41.7 19.0 0.083 0.0 DC
DA
DC
DG
DT
 9.051
8.631
5.947
4.065
7.929
 CD2
CE1
OH
OH
OH
 OP2
O3'
O3'
OP2
C7
3o62 2 P62799 100.0 5e-67 X-RAY
 2011-01-05 TYR B:51 B:51 20.0 0.087 H -48.3 -35.9 20.0 0.087 0.0 DT
DT
DG
DA
DA
 9.999
9.744
5.853
4.132
9.853
 CE2
CE2
OH
OH
OH
 C7
O3'
C3'
OP2
OP2
TYR F:51 F:51 18.0 0.078 H -49.4 -35.1 18.0 0.078 0.0 DC
DT
DC
DA
DT
 9.447
5.816
4.311
9.573
8.960
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
N7
OP2
3reh 2 P62799 100.0 5e-67 X-RAY
 2012-03-14 TYR B:51 B:51 18.0 0.078 H -61.6 -48.5 18.0 0.078 0.0 DA
DT
DT
DG
DA
DA
HOH
 9.080
9.832
8.895
5.875
4.252
9.438
3.625
 CD1
CE2
CE2
OH
OH
OH
N
 OP2
C7
O3'
C3'
OP2
N7
O
TYR F:51 F:51 16.0 0.07 H -64.5 -45.8 16.0 0.07 0.0 DT
DG
DA
DA
DA
DT
HOH
 9.246
6.282
4.471
9.534
9.160
9.806
2.381
 CE1
OH
OH
OH
CD2
OH
OH
 O3'
C3'
OP2
N7
OP2
C7
O
3rei 2 P62799 100.0 5e-67 X-RAY
 2012-03-14 TYR B:51 B:51 15.0 0.065 H -65.6 -47.0 15.0 0.065 0.0 DA
DT
DT
DG
DA
DA
 8.988
9.930
8.890
5.919
4.349
9.669
 CD1
OH
CE2
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
N7
TYR F:51 F:51 15.0 0.065 H -66.8 -40.6 15.0 0.065 0.0 DT
DG
DA
DA
DA
DT
 9.278
6.212
4.522
9.573
9.202
9.850
 CE1
OH
OH
OH
CD2
OH
 O3'
C3'
OP2
OP2
OP2
C7
3rej 2 P62799 100.0 5e-67 X-RAY
 2012-03-14 TYR B:51 B:51 17.0 0.074 H -63.8 -41.0 17.0 0.074 0.0 DA
DT
DG
DA
DA
HOH
 8.776
9.341
6.374
5.015
9.973
3.320
 CG
CE2
OH
OH
OH
CB
 OP2
O3'
C3'
OP2
OP2
O
TYR F:51 F:51 22.0 0.096 H -68.9 -39.9 22.0 0.096 0.0 DT
DT
DG
DA
DA
HOH
 9.285
6.290
4.510
9.819
8.689
3.411
 CE1
OH
OH
OH
CD2
CB
 O3'
C3'
OP2
OP2
OP2
O
3rek 2 P62799 100.0 5e-67 X-RAY
 2012-03-14 TYR B:51 B:51 18.0 0.078 H -60.4 -38.0 18.0 0.078 0.0 DA
DT
DG
DA
DA
 8.690
9.272
6.407
5.018
9.916
 CG
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
TYR F:51 F:51 21.0 0.091 H -64.1 -35.0 21.0 0.091 0.0 DT
DT
DG
DA
DA
 9.155
6.162
4.424
9.736
8.571
 CE1
OH
OH
OH
CD2
 O3'
O3'
OP2
OP2
OP2
3rel 2 P62799 100.0 5e-67 X-RAY
 2012-03-14 TYR B:51 B:51 14.0 0.061 H -59.7 -36.6 14.0 0.061 0.0 DA
DT
DG
DA
DA
PT
 8.837
9.247
6.323
4.915
9.917
9.972
 CG
CE2
OH
OH
OH
OH
 OP2
O3'
C3'
OP2
N7
PT
TYR F:51 F:51 22.0 0.096 H -68.5 -31.7 22.0 0.096 0.0 DT
DT
DG
DA
DA
 9.261
6.393
4.530
9.673
8.673
 CE1
OH
OH
OH
CD2
 O3'
O3'
OP2
OP2
OP2
3tu4 2 P62799 100.0 5e-67 X-RAY
 2011-11-23 TYR B:51 B:51 16.0 0.07 H -55.0 -47.0 16.0 0.07 0.0 DC
DC
DC
DG
DA
 8.889
5.913
4.150
9.683
9.008
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
OP2
OP2
TYR F:51 F:51 15.0 0.065 H -56.6 -46.1 15.0 0.065 0.0 DC
DA
DC
DG
DT
 8.894
9.040
5.959
4.150
7.952
 CD1
CE2
OH
OH
OH
 OP2
O3'
O3'
OP2
C7
3ut9 2 P62799 100.0 5e-67 X-RAY
 2012-04-11 TYR B:51 B:51 22.0 0.096 H -66.0 -48.3 22.0 0.096 0.0 DC
DA
DC
DG
DT
HOH
 8.888
9.616
6.609
4.664
8.469
5.888
 CD2
CE1
OH
OH
OH
N
 OP2
O3'
O3'
OP2
C7
O
TYR F:51 F:51 16.0 0.07 H -65.3 -54.3 16.0 0.07 0.0 DA
DC
DG
DT
DC
HOH
 9.423
6.423
4.752
8.291
8.729
3.626
 CE2
OH
OH
OH
CD1
N
 O3'
C3'
OP2
C7
OP2
O
3uta 2 P62799 100.0 5e-67 X-RAY
 2012-04-11 TYR B:51 B:51 12.0 0.052 H -63.4 -45.6 12.0 0.052 0.0 DA
DT
DG
DA
DA
HOH
 8.707
8.731
6.148
4.535
9.783
3.339
 CD1
CE2
OH
OH
OH
N
 OP2
O3'
C3'
OP2
OP2
O
TYR F:51 F:51 17.0 0.074 H -64.9 -42.0 17.0 0.074 0.0 DT
DG
DA
DA
HOH
 9.262
6.257
4.525
8.595
2.469
 CE1
OH
OH
CD2
OH
 O3'
C3'
OP2
OP2
O
3utb 2 P62799 100.0 5e-67 X-RAY
 2012-04-11 TYR B:51 B:51 16.0 0.07 H -64.7 -44.7 16.0 0.07 0.0 DA
DT
DG
DA
DA
MN
HOH
 8.856
9.123
6.064
4.594
9.967
9.549
2.488
 CG
CE2
OH
OH
OH
CE2
OH
 OP2
O3'
C3'
OP2
OP2
MN
O
TYR F:51 F:51 25.0 0.109 H -66.0 -42.0 25.0 0.109 0.0 DT
DT
DG
DA
DA
HOH
 9.332
6.274
4.436
9.717
8.612
3.698
 CE1
OH
OH
OH
CD2
CB
 O3'
O3'
OP2
OP2
OP2
O
3x1s 2 P62805 100.0 5e-67 X-RAY
 2015-09-23 TYR B:51 B:51 20.0 0.087 H -62.3 -46.8 20.0 0.087 0.0 DA
DT
DT
DG
DA
DA
 8.911
9.616
9.521
6.303
4.301
9.517
 CD1
OH
CE2
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
OP2
TYR F:51 F:51 25.0 0.109 H -57.2 -45.6 25.0 0.109 0.0 DC
DT
DG
DA
DT
 9.622
6.634
4.681
9.471
8.708
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
N7
OP2
3x1t 3 P62805 100.0 5e-67 X-RAY
 2015-09-23 TYR D:51 B:51 14.0 0.061 H -67.8 -42.6 14.0 0.061 0.0 DA
DT
DG
DA
DA
 8.929
9.413
6.281
4.418
9.520
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
TYR H:51 F:51 20.0 0.087 H -61.7 -41.1 20.0 0.087 0.0 DC
DT
DG
DA
DT
HOH
 9.521
6.372
4.577
9.762
9.106
2.464
 CE2
OH
OH
OH
CD1
OH
 O3'
C3'
OP2
OP2
OP2
O
3x1u 3 P62805 100.0 5e-67 X-RAY
 2015-09-23 TYR D:51 B:51 29.0 0.126 H -65.0 -46.3 29.0 0.126 0.0 DA
DT
DT
DG
DA
DA
 8.904
9.700
8.880
5.818
3.925
9.397
 CD1
OH
CE2
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
N7
TYR H:51 F:51 16.0 0.07 H -60.8 -47.4 16.0 0.07 0.0 DC
DT
DG
DA
DT
 9.360
6.783
4.670
9.255
8.309
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
OP2
OP2
3x1v 3 P62805 100.0 5e-67 X-RAY
 2015-09-23 TYR D:51 B:51 20.0 0.087 H -63.5 -38.0 20.0 0.087 0.0 DA
DT
DT
DG
DA
DA
 8.883
9.840
9.641
6.553
4.521
9.468
 CD1
OH
CE2
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
OP2
TYR H:51 F:51 13.0 0.057 H -60.6 -35.7 13.0 0.057 0.0 DC
DT
DG
DA
DT
HOH
 9.285
6.672
4.845
9.482
8.626
7.757
 CE2
OH
OH
OH
CD1
OH
 O3'
C3'
OP2
OP2
OP2
O
4h9n 2 P62805 100.0 5e-67 X-RAY
 2012-10-10 TYR B:51 B:51 26.0 0.113 H -59.4 -57.4 26.0 0.113 0.0 HOH
 2.641
 OH
 O
4h9o 2 P62805 100.0 5e-67 X-RAY
 2012-10-10 TYR B:51 B:51 22.0 0.096 H -64.8 -56.3 22.0 0.096 0.0 HOH
 2.991
 OH
 O
4h9p 2 P62805 100.0 5e-67 X-RAY
 2012-10-17 TYR B:51 B:51 39.0 0.17 H -62.3 -51.8 39.0 0.17 0.0 HOH
 3.258
 OH
 O
4h9q 2 P62805 100.0 5e-67 X-RAY
 2012-10-17 TYR B:51 B:51 19.0 0.083 H -63.8 -54.8 19.0 0.083 0.0 HOH
 2.937
 OH
 O
4h9r 2 P62805 100.0 5e-67 X-RAY
 2012-10-17 TYR B:51 B:51 36.0 0.157 H -62.9 -49.7 36.0 0.157 0.0 HOH
 3.891
 OH
 O
4j8u 2 P62799 100.0 5e-67 X-RAY
 2013-04-17 TYR B:51 B:51 16.0 0.07 H -64.9 -42.8 16.0 0.07 0.0 DA
DT
DT
DG
DA
DA
 9.005
9.875
8.816
5.911
4.393
9.396
 CD1
CE2
CE2
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
N7
TYR F:51 F:51 18.0 0.078 H -62.0 -44.9 18.0 0.078 0.0 DT
DG
DA
DA
DA
DT
 9.282
6.279
4.563
9.492
9.070
9.706
 CE1
OH
OH
OH
CD2
OH
 O3'
C3'
OP2
N7
OP2
C7
4j8v 2 P62799 100.0 5e-67 X-RAY
 2013-05-08 TYR B:51 B:51 17.0 0.074 H -66.5 -45.2 17.0 0.074 0.0 DT
DG
DA
DA
 8.836
5.903
4.373
9.448
 CE2
OH
OH
OH
 O3'
C3'
OP2
N7
TYR F:51 F:51 17.0 0.074 H -68.7 -43.5 NA NA NA
4j8w 2 P62799 100.0 5e-67 X-RAY
 2013-04-17 TYR B:51 B:51 17.0 0.074 H -63.2 -42.3 17.0 0.074 0.0 DA
DT
DT
DG
DA
DA
 9.032
9.783
8.869
5.961
4.380
9.398
 CD1
OH
CE2
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
N7
TYR F:51 F:51 17.0 0.074 H -61.9 -47.0 17.0 0.074 0.0 DT
DG
DA
DA
DA
DT
 9.255
6.320
4.558
9.536
9.126
9.808
 CE1
OH
OH
OH
CD2
OH
 O3'
C3'
OP2
N7
OP2
C7
4j8x 2 P62799 100.0 5e-67 X-RAY
 2013-05-08 TYR B:51 B:51 15.0 0.065 H -64.1 -43.8 15.0 0.065 0.0 DA
DT
 8.887
9.825
 CD1
CE2
 OP2
C7
TYR F:51 F:51 16.0 0.07 H -66.6 -41.8 NA NA NA
4r8p 2 P62799 100.0 5e-67 X-RAY
 2014-11-05 TYR B:51 B:51 26.0 0.113 H -60.7 -48.1 26.0 0.113 0.0 DC
DA
DC
DG
DT
 8.617
8.925
6.098
4.378
8.256
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR F:51 F:51 20.0 0.087 H -62.9 -48.5 20.0 0.087 0.0 DC
DC
DC
DG
DA
 8.786
5.828
4.941
9.563
8.647
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
OP2
OP2
4wu8 4 P62799 100.0 5e-67 X-RAY
 2015-09-02 TYR D:51 B:51 16.0 0.07 H -62.7 -44.7 16.0 0.07 0.0 DA
DT
DT
DG
DA
DA
 8.926
9.782
8.996
6.027
4.596
9.556
 CD1
CE2
CE2
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
N7
TYR H:51 F:51 19.0 0.083 H -60.6 -44.3 19.0 0.083 0.0 DT
DG
DA
DA
DA
DT
HOH
 9.538
6.377
4.578
9.618
8.960
9.725
7.031
 CE1
OH
OH
OH
CD2
CE1
CB
 O3'
C3'
OP2
N7
OP2
C7
O
4wu9 2 P62799 100.0 5e-67 X-RAY
 2015-09-02 TYR B:51 B:51 14.0 0.061 H -57.6 -44.1 14.0 0.061 0.0 DA
DT
DT
DG
DA
DA
 8.970
9.966
8.599
5.809
4.131
9.439
 CD1
OH
CE2
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
N7
TYR F:51 F:51 15.0 0.065 H -58.6 -43.1 15.0 0.065 0.0 DT
DG
DA
DA
DA
DT
 9.537
6.099
4.441
9.418
9.121
9.429
 OH
OH
OH
OH
CG
CE1
 O3'
C3'
OP2
N7
OP2
C7
4xuj 2 P62799 100.0 5e-67 X-RAY
 2016-01-27 TYR B:51 B:51 13.0 0.057 H -60.7 -38.0 13.0 0.057 0.0 DA
DT
DT
DG
DA
DA
 8.874
9.924
8.882
5.923
4.062
9.406
 CD1
CE2
CE2
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
OP2
TYR F:51 F:51 20.0 0.087 H -61.6 -39.3 20.0 0.087 0.0 DT
DG
DA
DA
DA
DT
 9.065
5.912
3.947
9.429
8.960
9.427
 CE1
OH
OH
OH
CD2
OH
 O3'
C3'
OP2
N7
OP2
C7
5bnv 2 P62805 100.0 5e-67 X-RAY
 2015-06-17 TYR B:51 B:51 31.0 0.135 H -53.1 -56.1 7.0 0.03 0.105 F:P49736:0.104
 PO4
HOH
 5.866
3.556
 OH
CB
 O2
O
TYR D:51 E:51 35.0 0.152 H -51.9 -57.3 12.0 0.052 0.1 E:P49736:0.1
 PO4
HOH
 9.789
3.436
 CE1
CB
 O1
O
5bnx 2 P62805 100.0 5e-67 X-RAY
 2015-06-17 TYR B:51 B:51 33.0 0.143 H -56.1 -57.8 8.0 0.035 0.108 C:P49736:0.109
 GOL
HOH
 8.889
3.407
 CE1
CB
 O1
O
5bo0 2 P62805 100.0 5e-67 X-RAY
 2015-06-17 TYR B:51 B:51 30.0 0.13 H -49.3 -63.3 7.0 0.03 0.1 C:P49736:0.1
 GOL
 9.432
 CE1
 O1
5bs7 2 P62799 100.0 5e-67 X-RAY
 2015-07-08 TYR C:51 C:51 41.0 0.178 H -62.8 -43.7 10.0 0.043 0.135 E:Q68D10:0.135
 HOH
 5.689
 OH
 O
TYR D:51 D:51 31.0 0.135 H -48.0 -72.5 31.0 0.135 0.0 HOH
 7.497
 CD1
 O
5bsa 2 P62799 100.0 5e-67 X-RAY
 2015-07-08 TYR C:51 C:51 51.0 0.222 H -56.7 -41.8 27.0 0.117 0.105 E:Q68D10:0.104
TYR D:51 D:51 23.0 0.1 H -62.2 -42.1 23.0 0.1 0.0
5cp6 4 P62799 100.0 5e-67 X-RAY
 2016-06-01 TYR D:51 B:51 16.0 0.07 H -64.0 -38.8 16.0 0.07 0.0 DA
DT
DG
DA
DA
 8.963
9.050
5.930
4.583
9.672
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
N7
TYR H:51 F:51 17.0 0.074 H -59.2 -44.3 17.0 0.074 0.0 DT
DG
DA
DA
DA
DT
HOH
 9.504
6.264
4.476
9.361
9.134
9.626
7.119
 CE1
OH
OH
OH
CD2
CE1
CB
 O3'
C3'
OP2
N7
OP2
C7
O
5dnm 2 P62799 100.0 5e-67 X-RAY
 2016-09-14 TYR B:51 B:51 16.0 0.07 H -69.1 -42.8 16.0 0.07 0.0 DA
DT
DG
DA
DA
 8.674
8.761
5.969
4.545
9.478
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
N7
TYR F:51 F:51 16.0 0.07 H -61.2 -41.6 16.0 0.07 0.0 DT
DG
DA
DA
DA
DT
 9.505
6.329
4.666
9.619
9.099
9.792
 CE1
OH
OH
OH
CD2
OH
 O3'
C3'
OP2
N7
OP2
C7
5dnn 2 P62799 100.0 5e-67 X-RAY
 2016-09-14 TYR B:51 B:51 16.0 0.07 H -64.7 -46.4 16.0 0.07 0.0 DA
DT
DG
DA
DA
 8.783
8.727
5.914
4.620
9.478
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
N7
TYR F:51 F:51 16.0 0.07 H -57.9 -47.3 16.0 0.07 0.0 DT
DG
DA
DA
DA
DT
 9.492
6.350
4.719
9.689
9.115
9.844
 CE1
OH
OH
OH
CD2
OH
 O3'
C3'
OP2
N7
OP2
C7
5gsu 2 P62805 100.0 5e-67 X-RAY
 2017-02-15 TYR C:51 B:51 10.0 0.043 H -59.4 -44.6 10.0 0.043 0.0 DA
DT
DG
DA
DA
 9.007
9.175
6.206
4.355
9.478
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
TYR D:51 F:51 14.0 0.061 H -60.1 -44.1 14.0 0.061 0.0 DC
DT
DG
DA
DT
 9.242
6.028
4.146
9.526
8.889
 CE1
OH
OH
OH
CD2
 O3'
C3'
OP2
N7
OP2
5gt0 2 P62805 100.0 5e-67 X-RAY
 2017-02-15 TYR C:51 B:51 18.0 0.078 H -67.3 -30.1 18.0 0.078 0.0 DA
DT
DT
DG
DA
DA
 9.155
9.986
9.178
5.901
4.383
9.465
 CD1
OH
OH
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
N7
TYR D:51 F:51 19.0 0.083 H -69.1 -30.3 19.0 0.083 0.0 DC
DT
DG
DA
DT
HOH
 9.218
6.092
4.408
9.572
8.893
4.152
 CE2
OH
OH
OH
CD1
C
 O3'
C3'
OP2
OP2
OP2
O
5gt3 2 P62805 100.0 5e-67 X-RAY
 2017-02-15 TYR B:51 B:51 14.0 0.061 H -63.5 -43.7 14.0 0.061 0.0 DA
DT
DG
DA
DA
 9.044
9.483
6.399
4.457
9.415
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
TYR F:51 F:51 22.0 0.096 H -63.6 -42.5 22.0 0.096 0.0 DC
DT
DG
DA
DT
 9.298
6.260
4.565
9.668
9.083
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
OP2
OP2
5hq2 2 P62799 100.0 5e-67 X-RAY
 2016-03-23 TYR B:51 B:51 47.0 NA H -54.6 -63.1 47.0 NA NA DC
DC
DG
 9.487
8.225
9.154
 CB
N
CB
 OP2
OP1
OP2
5ja4 2 P62805 100.0 5e-67 X-RAY
 2016-06-15 TYR B:51 B:51 40.0 0.174 H -59.9 -54.6 16.0 0.07 0.104 C:P49736:0.104
 GOL
HOH
 5.323
3.367
 C
CB
 O1
O
5kdm 2 P62805 100.0 5e-67 X-RAY
 2016-09-07 TYR B:51 B:51 45.0 0.196 H -50.9 -58.0 45.0 0.196 0.0
5nl0 2 P62799 100.0 5e-67 X-RAY
 2017-05-17 TYR B:51 B:51 13.0 0.057 H -65.6 -48.4 13.0 0.057 0.0 DC
DA
DC
DG
DT
 9.053
9.384
6.501
4.618
8.629
 CD2
CE1
OH
OH
OH
 OP2
O3'
O3'
OP2
C7
TYR F:51 F:51 18.0 0.078 H -65.5 -48.5 18.0 0.078 0.0 DA
DC
DG
DT
DC
 9.174
6.371
4.831
8.488
9.004
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
C7
OP2
TYR L:51 L:51 13.0 0.057 H -65.8 -48.2 NA NA NA
5oxv 4 P62799 100.0 5e-67 X-RAY
 2017-10-11 TYR D:51 P:51 20.0 0.087 H -48.5 -53.0 20.0 0.087 0.0 DA
DC
DC
DC
DG
 8.652
9.148
6.183
4.494
9.741
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
N7
TYR H:51 L:51 20.0 0.087 H -55.5 -36.6 20.0 0.087 0.0 DA
DC
DG
DT
DC
 9.088
6.081
4.373
8.003
8.557
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
C7
OP2
TYR M:51 F:51 21.0 0.091 H -48.5 -53.0 21.0 0.091 0.0 DA
DC
DC
DC
DG
 8.653
9.147
6.183
4.494
9.742
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
N7
TYR Q:51 B:51 20.0 0.087 H -55.7 -36.5 20.0 0.087 0.0 DA
DC
DG
DT
DC
 9.089
6.081
4.373
8.003
8.557
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
C7
OP2
5oy7 3 P62799 100.0 5e-67 X-RAY
 2017-09-20 TYR C:51 N:51 20.0 0.087 H -48.5 -53.0 20.0 0.087 0.0 DC
DC
DC
DG
DA
 9.146
6.183
4.495
9.741
8.651
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
N7
OP2
TYR G:51 R:51 20.0 0.087 H -55.7 -36.6 20.0 0.087 0.0 DC
DA
DC
DG
DT
 8.557
9.087
6.081
4.372
8.002
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR I:51 J:51 22.0 0.096 H -55.6 -36.5 22.0 0.096 0.0 DC
DA
DC
DG
DT
 8.558
9.087
6.081
4.371
8.000
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR K:51 B:51 20.0 0.087 H -55.5 -36.6 20.0 0.087 0.0 DC
DA
DC
DG
DT
 8.557
9.089
6.081
4.373
8.003
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR O:51 F:51 20.0 0.087 H -48.5 -53.0 20.0 0.087 0.0 DC
DC
DC
DG
DA
 9.148
6.184
4.495
9.741
8.653
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
N7
OP2
TYR V:51 V:51 21.0 0.091 H -48.5 -53.0 21.0 0.091 0.0 DC
DC
DC
DG
DA
 9.148
6.182
4.495
9.742
8.652
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
N7
OP2
TYR Z:51 Z:51 19.0 0.083 H -55.5 -36.7 19.0 0.083 0.0 DC
DA
DC
DG
DT
 8.557
9.088
6.082
4.372
8.002
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR DA:51 d:51 20.0 0.087 H -48.5 -53.0 20.0 0.087 0.0 DC
DC
DC
DG
DA
 9.148
6.182
4.493
9.741
8.652
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
N7
OP2
5x0y 2 P62799 100.0 5e-67 EM
 2017-04-19 TYR B:51 B:51 28.0 0.122 H -41.7 -62.0 28.0 0.122 0.0 DC
DC
DC
DG
DA
DA
 9.052
6.620
5.487
9.923
9.917
8.553
 CE2
CE2
OH
OH
OH
CZ
 O3'
OP2
OP2
N7
C2'
OP2
TYR F:51 F:51 39.0 0.17 H -53.4 -52.7 39.0 0.17 0.0 DC
DA
DC
DG
DT
 8.803
9.289
7.037
5.728
7.825
 CE2
CE2
CE2
OH
OH
 OP2
O3'
OP1
OP2
C7
5xf6 2 P62799 100.0 5e-67 X-RAY
 2017-10-11 TYR B:51 B:51 17.0 0.074 H -70.5 -42.8 17.0 0.074 0.0 DA
DT
DT
DG
DA
DA
 8.781
9.983
8.798
5.910
4.326
9.372
 CD1
CE2
CE2
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
OP2
TYR F:51 F:51 16.0 0.07 H -61.9 -47.8 16.0 0.07 0.0 DT
DG
DA
DA
DA
DT
HOH
 9.524
6.311
4.661
9.531
9.177
9.859
3.572
 CE1
OH
OH
OH
CD2
CE1
N
 O3'
C3'
OP2
OP2
OP2
C7
O
5z3l 2 P62799 100.0 5e-67 EM
 2019-04-03 TYR B:51 B:51 27.0 0.117 H -58.3 -65.9 27.0 0.117 0.0 DC
DC
DC
DG
DA
DA
 8.918
6.836
5.502
9.857
9.885
7.562
 CE2
OH
OH
OH
CE1
CE1
 O3'
C3'
OP2
N7
C3'
OP2
TYR F:51 F:51 39.0 0.17 H -67.1 -47.7 36.0 0.157 0.013 E:P84233:0.013
 DC
DA
DC
DG
DT
 8.190
9.974
6.619
5.099
8.847
 CE2
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
5z3o 2 P62799 100.0 5e-67 EM
 2019-04-03 TYR B:51 B:51 17.0 0.074 H -59.2 -66.1 17.0 0.074 0.0 DC
DC
DC
DG
DA
DA
 9.110
7.070
5.447
9.970
9.825
7.823
 CE2
CE2
OH
OH
CE1
CE1
 O3'
O5'
OP2
N7
C3'
OP2
TYR F:51 F:51 37.0 0.161 H -69.2 -49.2 37.0 0.161 0.0 DC
DA
DC
DG
DT
 8.431
9.846
6.684
5.180
8.556
 CE2
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
5z3u 3 P62799 100.0 5e-67 EM
 2019-05-22 TYR C:51 B:51 29.0 0.126 H -59.9 -65.9 29.0 0.126 0.0 DC
DC
DC
DA
 9.481
6.605
4.773
8.611
 CE2
OH
OH
CE2
 O3'
C3'
OP2
OP2
TYR G:51 F:51 33.0 0.143 H -67.4 -54.6 33.0 0.143 0.0 DC
DA
DC
DG
DT
 9.070
9.390
6.835
4.943
8.627
 CE2
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
5z3v 3 P62799 100.0 5e-67 EM
 2019-05-22 TYR C:51 B:51 26.0 0.113 H -59.3 -63.7 26.0 0.113 0.0 DC
DC
DC
DA
 9.379
6.842
5.013
8.650
 CE2
OH
OH
CE2
 O3'
C3'
OP2
OP2
TYR G:51 F:51 29.0 0.126 H -71.1 -49.0 29.0 0.126 0.0 DC
DA
DC
DG
DT
 8.748
9.620
6.833
4.995
8.441
 CE2
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
6esf 2 P62799 100.0 5e-67 EM
 2017-12-20 TYR B:51 B:51 20.0 0.087 H -73.6 -42.3 20.0 0.087 0.0 DA
DC
DC
DC
DG
 8.621
8.588
5.942
4.669
9.856
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
N7
TYR F:51 F:51 35.0 0.152 H -76.2 -36.3 35.0 0.152 0.0 DA
DC
DG
DT
DC
 8.289
5.924
4.400
8.744
8.971
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
C7
OP2
6esg 2 P62799 100.0 5e-67 EM
 2017-12-20 TYR B:51 B:51 11.0 0.048 H -64.2 -44.8 11.0 0.048 0.0 DA
DC
DC
DC
 8.717
7.857
5.595
5.237
 CD1
OH
OH
OH
 OP1
O3'
O5'
OP2
TYR F:51 F:51 24.0 0.104 H -71.4 -48.3 24.0 0.104 0.0 DA
DC
DG
DT
DC
 8.569
6.294
4.385
9.097
9.395
 CE2
OH
OH
OH
CE1
 O3'
C3'
OP2
C7
OP2
6esh 2 P62799 100.0 5e-67 EM
 2017-12-20 TYR B:51 B:51 17.0 0.074 H -63.9 -57.3 17.0 0.074 0.0 DA
DC
DC
DC
 8.464
8.291
5.790
4.278
 CD1
CE2
OH
OH
 OP2
O3'
C3'
OP2
TYR F:51 F:51 30.0 0.13 H -61.7 -44.3 30.0 0.13 0.0 DA
DC
DG
DT
DC
 8.423
4.599
3.151
7.978
9.900
 OH
OH
OH
OH
CD1
 O3'
O3'
OP2
C7
OP2
6esi 2 P62799 100.0 5e-67 EM
 2017-12-20 TYR B:51 B:51 46.0 0.2 H -67.6 -53.4 46.0 0.2 0.0 DA
DC
DC
DC
DG
 9.375
9.029
4.342
2.738
6.245
 CE1
CE2
OH
OH
OH
 OP2
O3'
O3'
OP1
OP2
TYR F:51 F:51 19.0 0.083 H -60.9 -40.0 19.0 0.083 0.0 DA
DC
DG
DT
DC
 6.772
3.409
3.404
9.662
9.008
 OH
OH
OH
OH
CD2
 O3'
C3'
OP1
C7
OP2
6fml 10 P62805 100.0 5e-67 EM
 2018-04-25 TYR N:51 N:51 24.0 0.104 H -60.7 -48.2 24.0 0.104 0.0 DA
DC
DG
DT
DC
 8.810
6.076
4.408
8.305
8.601
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
C7
OP2
TYR R:51 R:51 18.0 0.078 H -62.7 -48.4 18.0 0.078 0.0 DA
DC
DC
DC
DG
 8.634
8.842
5.938
5.026
9.623
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
6iro 3 P62799 100.0 5e-67 EM
 2019-04-03 TYR C:51 B:51 24.0 0.104 H -72.4 -47.1 24.0 0.104 0.0 DC
DC
DC
DA
 9.239
6.495
5.058
9.081
 CE2
OH
OH
CE1
 O3'
C3'
OP2
OP2
TYR G:51 F:51 42.0 0.183 H -74.4 -54.1 42.0 0.183 0.0 DC
DA
DC
DG
DT
 8.734
9.830
6.490
5.144
8.829
 CE2
OH
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
6jyl 2 P62799 100.0 5e-67 EM
 2019-05-29 TYR B:51 B:51 29.0 0.126 H -72.6 -45.4 29.0 0.126 0.0 DC
DC
DC
DA
 9.903
6.857
5.151
8.855
 CE2
OH
OH
CE2
 O3'
C3'
OP2
OP2
TYR F:51 F:51 36.0 0.157 H -73.3 -41.6 36.0 0.157 0.0 DC
DA
DC
DG
DT
 8.843
9.720
7.048
5.379
8.950
 CE2
OH
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
6k1p 2 P62799 100.0 5e-67 EM
 2019-05-29 TYR B:51 B:51 32.0 0.139 H -72.6 -42.0 32.0 0.139 0.0 DC
DC
DA
 7.313
5.399
8.497
 OH
OH
CE2
 C3'
OP2
OP2
TYR F:51 F:51 29.0 0.126 H -72.4 -40.0 29.0 0.126 0.0 DC
DA
DC
DG
DT
 8.761
9.923
7.456
5.788
9.469
 CE2
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
6kiu 2 P62799 100.0 5e-67 EM
 2019-09-11 TYR B:51 B:51 23.0 0.1 H -65.6 -52.2 23.0 0.1 0.0 DC
DA
DC
DG
DT
 9.784
9.555
7.075
5.691
9.244
 CG
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR F:51 F:51 21.0 0.091 H -70.1 -44.5 21.0 0.091 0.0 DC
DC
DC
DA
 9.678
7.293
5.577
9.152
 CE2
OH
OH
CE1
 O3'
C3'
OP2
OP2
6kiv 2 P62799 100.0 5e-67 EM
 2019-09-11 TYR B:51 B:51 26.0 0.113 H -66.2 -50.0 26.0 0.113 0.0 DC
DC
DG
DT
 8.727
7.570
6.215
8.893
 CZ
OH
OH
OH
 OP2
C3'
OP2
C7
TYR F:51 F:51 23.0 0.1 H -63.3 -45.0 23.0 0.1 0.0 DC
DC
DC
DA
 9.885
7.731
6.458
7.964
 CE2
OH
OH
CE1
 O3'
C3'
OP2
OP2
6kiw 2 P62799 100.0 5e-67 EM
 2019-09-11 TYR B:51 B:51 37.0 0.161 H -65.7 -53.7 37.0 0.161 0.0 DC
DA
DC
DG
DT
 9.154
9.658
7.235
5.634
8.707
 CE2
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR F:51 F:51 22.0 0.096 H -66.6 -47.8 22.0 0.096 0.0 DC
DC
DC
DA
 9.962
7.604
5.633
8.473
 CE2
OH
OH
CE1
 O3'
C3'
OP2
OP2
6kix 2 P62799 100.0 5e-67 EM
 2019-09-11 TYR B:51 B:51 27.0 0.117 H -63.7 -55.2 27.0 0.117 0.0 DC
DA
DC
DG
DT
 9.450
9.909
7.030
5.308
9.165
 CZ
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR F:51 F:51 22.0 0.096 H -64.6 -46.5 22.0 0.096 0.0 DC
DC
DA
 7.594
5.699
9.111
 OH
OH
CE1
 C3'
OP2
OP2
6kiz 2 P62799 100.0 5e-67 EM
 2019-09-11 TYR B:51 B:51 26.0 0.113 H -74.8 -45.1 26.0 0.113 0.0 DC
DC
DG
DT
 9.785
7.792
6.338
9.772
 CE1
OH
OH
OH
 OP2
C3'
OP1
C7
TYR F:51 F:51 33.0 0.143 H -68.9 -41.7 33.0 0.143 0.0 DC
DC
DA
 7.760
5.979
9.167
 OH
OH
CE1
 C3'
OP2
OP2
6nj9 2 P62799 100.0 5e-67 EM
 2019-02-20 TYR B:51 B:51 21.0 0.091 H -71.0 -16.4 21.0 0.091 0.0 DC
DC
DC
DA
 9.123
6.422
4.747
9.346
 CE2
OH
OH
CD1
 O3'
C3'
OP2
OP2
TYR F:51 F:51 19.0 0.083 H -71.0 -16.5 19.0 0.083 0.0 DC
DA
DC
DG
DT
 9.390
9.053
6.465
4.771
8.703
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
6nn6 2 P62799 100.0 5e-67 EM
 2019-02-13 TYR B:51 B:51 22.0 0.096 H -73.4 -15.4 22.0 0.096 0.0 DC
DA
DC
DG
DT
 9.043
9.158
6.354
4.522
9.130
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR F:51 F:51 30.0 0.13 T -79.8 -18.3 30.0 0.13 0.0 DC
DC
DC
DA
 9.832
6.577
5.043
9.504
 OH
OH
OH
CD2
 O3'
C3'
OP2
OP2
6nog 2 P62799 100.0 5e-67 EM
 2019-02-20 TYR C:51 B:51 32.0 0.139 H -68.2 -37.7 32.0 0.139 0.0 DC
DC
DC
DG
DA
 9.723
7.566
5.826
9.672
8.955
 OH
OH
OH
OH
CE2
 O3'
OP2
OP2
O6
OP2
TYR D:51 F:51 38.0 0.165 H -64.9 -35.0 38.0 0.165 0.0 DC
DC
DG
DT
 8.896
7.622
5.855
8.999
 CE2
OH
OH
OH
 OP2
C3'
OP2
C7
6nqa 3 P62799 100.0 5e-67 EM
 2019-02-20 TYR C:51 F:51 33.0 0.143 H -71.1 6.7 33.0 0.143 0.0 DC
DC
DC
DA
 9.766
7.024
4.916
9.127
 CE2
OH
OH
CD2
 O3'
C3'
OP2
OP2
TYR L:51 B:51 38.0 0.165 H -69.7 -0.4 38.0 0.165 0.0 DC
DA
DC
DG
DT
 9.034
9.827
7.146
5.271
8.567
 CD2
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
6r1u 2 P62799 100.0 5e-67 EM
 2019-04-24 TYR B:51 B:51 22.0 0.096 H -73.7 -42.2 22.0 0.096 0.0 DA
DC
DC
DC
DG
 8.621
8.588
5.943
4.670
9.858
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
N7
TYR F:51 F:51 32.0 0.139 H -76.4 -36.1 32.0 0.139 0.0 DA
DC
DG
DT
DC
 8.288
5.924
4.401
8.745
8.971
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
C7
OP2
6r25 5 ? 100.0 5e-67 EM
 2019-04-24 TYR E:51 B:51 21.0 0.091 H -73.7 -42.2 21.0 0.091 0.0 DA
DC
DC
DC
DG
 8.621
8.588
5.943
4.671
9.858
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
N7
TYR I:51 F:51 33.0 0.143 H -76.3 -36.2 33.0 0.143 0.0 DA
DC
DG
DT
DC
 8.289
5.923
4.400
8.745
8.970
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
C7
OP2
6s01 2 P62799 100.0 5e-67 EM
 2019-12-18 TYR B:51 B:51 13.0 0.057 H -69.6 -32.4 13.0 0.057 0.0 DC
DA
DC
DG
DT
 9.039
9.315
6.548
4.618
8.843
 CG
CE2
OH
OH
OH
 OP2
O3'
O3'
OP2
C7
TYR F:51 F:51 17.0 0.074 H -67.1 -20.1 17.0 0.074 0.0 DC
DC
DC
DG
DA
 9.261
6.361
4.362
9.782
9.084
 CE2
OH
OH
OH
CG
 O3'
C3'
OP2
OP2
OP2
6t9l 2 P62799 100.0 5e-67 EM
 2020-01-29 TYR B:51 B:51 27.0 0.117 H -66.1 -40.8 27.0 0.117 0.0 DC
DA
DC
DG
DT
 8.599
9.747
7.508
6.166
9.292
 CE1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR F:51 F:51 30.0 0.13 H -59.3 -51.3 30.0 0.13 0.0 DC
DC
DC
DA
 9.009
5.871
5.088
9.245
 OH
OH
OH
CE1
 O3'
C3'
OP2
OP2
6tda 2 P62799 100.0 5e-67 EM
 2020-03-18 TYR B:51 B:51 25.0 0.109 H -64.3 -49.8 25.0 0.109 0.0 DC
DC
DC
DA
 9.101
6.439
4.741
9.246
 CE2
OH
OH
CE1
 O3'
C3'
OP2
OP2
TYR F:51 F:51 20.0 0.087 H -60.8 -41.4 20.0 0.087 0.0 DC
DA
DC
DG
DT
 8.528
9.375
6.756
4.949
8.563
 CE2
OH
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
6ugm 2 P62799 100.0 5e-67 EM
 2019-11-20 TYR B:51 B:51 15.0 0.065 H -65.5 -8.0 15.0 0.065 0.0 DC
DC
DC
DG
DA
 9.215
6.823
4.658
9.943
9.515
 CE2
OH
OH
OH
CD2
 O3'
O3'
OP2
OP2
OP2
TYR F:51 F:51 27.0 0.117 T -69.2 -22.4 27.0 0.117 0.0 DC
DA
DC
DG
DT
 9.198
8.901
6.356
4.357
8.729
 CD1
CE1
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
6uh5 2 P62799 100.0 5e-67 EM
 2019-11-20 TYR B:51 B:51 18.0 0.078 H -60.0 -12.9 18.0 0.078 0.0 DC
DC
DC
DG
DA
 8.758
6.175
4.247
9.413
8.829
 CE2
OH
OH
OH
CG
 O3'
C3'
OP2
OP2
OP2
TYR F:51 F:51 13.0 0.057 G -66.6 -10.0 13.0 0.057 0.0 DC
DA
DC
DG
DT
 8.993
8.860
6.411
4.396
8.885
 CD1
CE1
OH
OH
OH
 OP2
O3'
O3'
OP2
C7
6uxw 2 P62799 100.0 5e-67 EM
 2020-03-18 TYR B:51 S:51 26.0 0.113 H -59.3 -63.6 26.0 0.113 0.0 DC
DC
DC
DA
 9.379
6.842
5.013
8.650
 CE2
OH
OH
CE2
 O3'
C3'
OP2
OP2
TYR F:51 W:51 29.0 0.126 H -71.1 -49.0 29.0 0.126 0.0 DC
DA
DC
DG
DT
 8.749
9.620
6.834
4.996
8.441
 CE2
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
6ven 2 P62799 100.0 5e-67 EM
 2020-01-15 TYR B:51 B:51 23.0 0.1 H -71.9 5.6 23.0 0.1 0.0 DC
DC
DC
DG
DA
 8.695
6.016
4.341
9.948
9.072
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
N7
OP2
TYR F:51 F:51 27.0 0.117 H -50.0 -46.3 27.0 0.117 0.0 DC
DA
DC
DG
DT
 9.041
9.154
6.656
4.760
8.482
 CE1
CE2
OH
OH
OH
 OP2
O3'
O3'
OP2
C7
6vyp 2 P62799 100.0 5e-67 X-RAY
 2020-05-27 TYR B:51 B:51 38.0 0.165 H -62.1 -45.9 38.0 0.165 0.0 DC
DA
DC
DG
DT
 8.530
8.867
6.275
4.529
7.663
 CD2
CE1
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR F:51 F:51 30.0 0.13 H -60.8 -47.4 30.0 0.13 0.0 DC
DC
DC
DG
DA
DA
 9.316
6.436
4.932
9.474
9.753
7.768
 CE1
OH
OH
OH
CE2
CE2
 O3'
C3'
OP2
N7
C3'
OP2
TYR L:51 b:51 10.0 0.043 H -66.2 -38.5 NA NA NA
TYR P:51 f:51 25.0 0.109 H -61.9 -46.0 NA NA NA
6wz5 2 P62799 100.0 5e-67 EM
 2020-09-16 TYR B:51 B:51 13.0 0.057 H -72.2 -42.0 13.0 0.057 0.0 DA
DC
DC
DC
DG
 8.867
8.861
6.289
4.602
9.842
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
N7
TYR F:51 F:51 15.0 0.065 H -72.0 -43.2 15.0 0.065 0.0 DA
DC
DG
DT
DC
 8.777
6.372
4.717
8.248
8.830
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
C7
OP2
6wz9 2 P62799 100.0 5e-67 EM
 2020-09-16 TYR B:51 B:51 12.0 0.052 H -72.4 -42.0 12.0 0.052 0.0 DA
DC
DC
DC
 8.919
8.951
6.380
4.708
 CD1
CE2
OH
OH
 OP2
O3'
C3'
OP2
TYR F:51 F:51 18.0 0.078 H -71.9 -42.8 18.0 0.078 0.0 DA
DC
DG
DT
DC
 8.703
6.202
4.586
8.103
9.022
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
C7
OP2
6x0n 2 P62799 100.0 5e-67 EM
 2020-09-16 TYR B:51 B:51 11.0 0.048 H -72.6 -41.9 11.0 0.048 0.0 DA
DC
DC
DC
 9.044
8.879
6.500
5.151
 CD1
CE2
OH
OH
 OP2
O3'
C3'
OP2
TYR F:51 F:51 5.0 0.022 H -71.6 -44.6 5.0 0.022 0.0 DA
DC
DG
DT
 8.878
6.572
5.374
9.288
 OH
OH
OH
OH
 O3'
C3'
OP2
C7
TYR L:51 b:51 24.0 0.104 H -73.0 -42.8 24.0 0.104 0.0 DA
DC
DC
DC
 9.487
9.338
6.756
5.256
 CG
CE2
OH
OH
 OP2
O3'
C3'
OP2
TYR P:51 f:51 4.0 0.017 H -70.1 -41.4 4.0 0.017 0.0 DA
DC
DG
DT
DC
 8.639
5.854
4.596
8.387
9.144
 OH
OH
OH
OH
CB
 O3'
C3'
OP2
C7
OP2
6x59 2 P62805 100.0 5e-67 EM
 2020-09-16 TYR B:51 B:51 22.0 0.096 H -71.6 -46.7 22.0 0.096 0.0 DC
DA
DC
DG
DT
 9.531
9.335
6.683
4.946
8.700
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR F:51 F:51 23.0 0.1 H -74.5 -41.0 23.0 0.1 0.0 DC
DC
DC
DA
 9.315
6.626
5.085
9.477
 CE2
OH
OH
CE2
 O3'
C3'
OP2
OP2
6x5a 2 P62805 100.0 5e-67 EM
 2020-09-16 TYR B:51 B:51 26.0 0.113 H -71.0 -47.6 26.0 0.113 0.0 DC
DA
DC
DG
DT
 9.009
9.383
6.825
5.176
8.560
 CZ
OH
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR F:51 F:51 19.0 0.083 H -72.2 -39.2 19.0 0.083 0.0 DC
DC
DC
DA
 8.952
6.378
5.075
9.600
 OH
OH
OH
CE2
 O3'
C3'
OP2
OP2
6xjd 2 P62805 100.0 5e-67 EM
 2020-09-16 TYR B:51 B:51 29.0 0.126 H -67.4 -48.4 29.0 0.126 0.0 DC
DA
DC
DG
DT
 8.507
7.852
5.777
5.356
9.456
 CD2
OH
OH
OH
OH
 OP2
O3'
OP2
OP2
C7
TYR F:51 F:51 15.0 0.065 H -72.1 -42.4 15.0 0.065 0.0 DC
DC
DC
DA
 7.649
5.917
5.971
8.793
 OH
OH
OH
CD1
 O3'
C5'
OP2
OP1
7a08 7 P62805 100.0 5e-67 EM
 2020-09-23 TYR G:51 e:51 26.0 0.113 H -70.6 -46.4 26.0 0.113 0.0 DC
DA
DC
DG
DT
 8.942
8.876
6.343
4.821
8.927
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR K:51 i:51 21.0 0.091 H -64.2 -52.7 21.0 0.091 0.0 DC
DC
DC
DG
DA
 8.862
5.996
4.738
9.591
9.058
 CE2
OH
OH
OH
CG
 O3'
C3'
OP2
OP2
OP2
7at8 4 P62799 100.0 5e-67 EM
 2020-12-09 TYR D:51 E:51 32.0 0.139 H -66.3 -40.7 32.0 0.139 0.0 DC
DA
DC
DG
DT
 8.113
9.227
7.221
6.109
9.171
 CE1
CE2
CE2
OH
OH
 OP2
O3'
OP2
OP2
C7
TYR H:51 I:51 27.0 0.117 H -66.6 -40.5 27.0 0.117 0.0 DC
DC
DC
DA
 8.811
6.017
5.485
9.202
 OH
OH
OH
CE1
 O3'
C3'
OP2
OP2
7bwd 2 P62805 100.0 5e-67 EM
 2021-04-14 TYR B:51 F:51 21.0 0.091 H -69.3 -31.3 21.0 0.091 0.0 DC
DA
DC
DG
DT
 9.148
9.352
7.337
5.267
9.758
 CE1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR I:51 B:51 26.0 0.113 H -66.2 -16.4 26.0 0.113 0.0 DC
DC
DC
DA
 9.559
6.876
4.925
9.079
 CE2
OH
OH
CD1
 O3'
C3'
OP2
OP2
7ciz 2 P62805 100.0 5e-67 X-RAY
 2021-04-14 TYR B:51 B:51 35.0 0.152 H -59.3 -55.3 15.0 0.065 0.087 C:P49736:0.087
 SO4
SO4
HOH
 9.909
4.622
3.528
 CE1
OH
CB
 O4
O4
O
TYR E:51 F:51 40.0 0.174 H -62.5 -54.9 NA NA NA
TYR H:51 J:51 40.0 0.174 H -61.8 -56.4 NA NA NA
7cj0 2 P62805 100.0 5e-67 X-RAY
 2021-04-14 TYR B:51 F:51 32.0 0.139 H -62.2 -45.5 9.0 0.039 0.1 C:P49736:0.1
 HOH
 3.510
 CB
 O
TYR F:51 C:51 43.0 0.187 H -62.6 -53.2 NA NA NA
7cro 2 P62799 100.0 5e-67 EM
 2020-10-21 TYR B:51 B:51 30.0 0.13 H -74.9 -12.7 30.0 0.13 0.0 DC
DC
DA
 7.169
5.322
9.463
 OH
OH
CD2
 C3'
OP2
OP2
TYR F:51 F:51 30.0 0.13 T -73.3 -3.7 30.0 0.13 0.0 DC
DC
DG
DT
 9.435
6.849
5.250
9.518
 CD2
OH
OH
OH
 OP2
C3'
OP2
C7
7crp 2 P62799 100.0 5e-67 EM
 2020-10-21 TYR B:51 B:51 27.0 0.117 H -73.1 -37.6 27.0 0.117 0.0 DC
DC
DC
DA
 9.689
7.060
5.290
9.584
 CE2
OH
OH
CD1
 O3'
C3'
OP2
OP2
TYR F:51 F:51 32.0 0.139 H -73.0 -28.3 32.0 0.139 0.0 DC
DA
DC
DG
DT
 9.723
9.744
7.106
5.508
9.555
 CG
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
7crq 2 P62799 100.0 5e-67 EM
 2020-10-21 TYR B:51 B:51 29.0 0.126 H -69.1 -31.1 29.0 0.126 0.0 DC
DC
DC
DA
 9.599
7.180
5.388
9.640
 CE2
OH
OH
CD1
 O3'
C3'
OP2
OP2
TYR F:51 F:51 28.0 0.122 H -74.7 -36.9 28.0 0.122 0.0 DC
DA
DC
DG
DT
 9.808
9.589
7.090
5.399
9.419
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
7crr 2 P62799 100.0 5e-67 EM
 2020-10-21 TYR B:51 B:51 21.0 0.091 H -74.8 -22.5 21.0 0.091 0.0 DC
DC
DC
DG
DA
 9.520
6.917
5.088
9.923
9.215
 CE2
OH
OH
OH
CD2
 O3'
C3'
OP2
OP2
OP2
TYR F:51 F:51 29.0 0.126 H -68.0 -35.2 29.0 0.126 0.0 DC
DA
DC
DG
DT
 9.295
9.296
6.644
4.858
8.517
 CD2
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
7e8d 2 P62805 100.0 5e-67 EM
 2021-11-10 TYR B:51 B:51 19.0 0.083 H -71.8 -45.2 19.0 0.083 0.0 DC
DC
DC
DA
 8.947
6.411
4.913
8.801
 CE2
OH
OH
CG
 O3'
C3'
OP2
OP2
TYR F:51 F:51 25.0 0.109 H -55.0 -61.8 25.0 0.109 0.0 DC
DA
DC
DG
DT
 9.022
9.253
6.500
4.829
8.312
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
7e8i 4 P62799 100.0 5e-67 EM
 2021-06-30 TYR D:51 B:51 20.0 0.087 H -67.3 -44.9 20.0 0.087 0.0 DA
DC
DG
DT
DC
 8.554
5.905
4.181
7.902
8.675
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
C7
OP2
TYR H:51 F:51 27.0 0.117 H -68.6 -7.9 27.0 0.117 0.0 DA
DC
DC
DC
DG
 8.614
8.529
5.573
3.716
9.022
 CD2
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
7eg6 3 P62799 100.0 5e-67 EM
 2022-01-12 TYR C:51 B:51 18.0 0.078 H -68.1 -45.8 18.0 0.078 0.0 DC
DC
DC
DG
DA
 9.145
6.365
4.724
9.927
9.098
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
OP2
OP2
TYR G:51 F:51 18.0 0.078 H -70.3 -39.7 18.0 0.078 0.0 DC
DA
DC
DG
DT
 9.164
9.068
6.429
4.707
8.485
 CD2
OH
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
7egp 12 P62799 100.0 5e-67 EM
 2022-01-12 TYR M:51 P:51 9.0 0.039 H -67.7 -17.9 9.0 0.039 0.0 DC
DC
DA
DC
DG
DT
 9.204
9.674
8.647
5.541
3.374
7.171
 CD1
OH
OH
OH
OH
OH
 OP2
N4
O3'
O3'
OP2
C7
TYR Q:51 T:51 22.0 0.096 H -59.5 -37.2 22.0 0.096 0.0 DC
DC
DC
DG
DG
DC
 7.660
4.967
3.317
7.890
9.631
9.247
 OH
OH
OH
OH
OH
OH
 O3'
C3'
OP2
O6
O6
N4
7enn 3 P62799 100.0 5e-67 EM
 2021-07-14 TYR C:51 L:51 22.0 0.096 H -71.9 -44.8 22.0 0.096 0.0 DC
DC
DC
DA
 9.209
6.643
4.956
9.018
 CE2
OH
OH
CD1
 O3'
C3'
OP2
OP2
TYR G:51 F:51 18.0 0.078 H -70.2 -43.3 18.0 0.078 0.0 DC
DA
DC
DG
DT
 9.099
9.087
6.628
4.945
8.553
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
7jzv 6 P62805 100.0 5e-67 EM
 2021-02-17 TYR F:51 Q:51 7.0 0.03 H -55.5 -42.7 7.0 0.03 0.0 DA
DC
DC
DC
DG
 8.443
8.757
6.618
4.424
9.265
 CD2
CE1
OH
OH
OH
 OP2
O3'
O3'
OP2
OP2
TYR L:51 q:51 7.0 0.03 H -62.3 -39.7 7.0 0.03 0.0 DA
DC
DG
DT
DC
 9.110
6.556
4.568
8.791
8.675
 CE1
OH
OH
OH
CD2
 O3'
C3'
OP2
C7
OP2
7oh9 2 P62799 100.0 5e-67 EM
 2021-07-28 TYR B:51 B:51 15.0 0.065 H -65.9 -44.1 15.0 0.065 0.0 DC
DA
DC
DG
DT
 8.941
8.708
6.010
4.311
8.230
 CG
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR F:51 F:51 16.0 0.07 H -68.1 -47.0 16.0 0.07 0.0 DC
DC
DC
DG
DA
 8.849
5.844
4.860
9.667
8.758
 CE2
OH
OH
OH
CG
 O3'
C3'
OP2
OP2
OP2
7oha 2 P62799 100.0 5e-67 EM
 2021-07-28 TYR B:51 B:51 21.0 0.091 H -67.0 -48.2 21.0 0.091 0.0 DC
DA
DC
DG
DT
 8.773
8.827
6.182
4.318
7.844
 CG
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR F:51 F:51 13.0 0.057 H -70.8 -45.9 13.0 0.057 0.0 DC
DC
DC
DG
DA
 8.644
5.867
5.051
9.716
8.721
 CE2
OH
OH
OH
CG
 O3'
C3'
OP1
N7
OP2
7ohb 2 P62799 100.0 5e-67 EM
 2021-07-28 TYR B:51 B:51 19.0 0.083 H -68.5 -38.5 19.0 0.083 0.0 DC
DA
DC
DG
DT
 9.017
8.799
6.120
4.504
8.254
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR F:51 F:51 18.0 0.078 H -74.5 -40.8 18.0 0.078 0.0 DC
DC
DC
DG
DA
 8.629
5.945
4.642
9.970
8.722
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
N7
OP2
7ohc 2 P62799 100.0 5e-67 EM
 2021-07-28 TYR B:51 B:51 21.0 0.091 H -67.4 -47.9 21.0 0.091 0.0 DC
DA
DC
DG
DT
 9.064
8.811
6.112
4.508
8.029
 CG
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR F:51 F:51 22.0 0.096 H -71.4 -45.7 22.0 0.096 0.0 DC
DC
DC
DG
DA
 8.534
5.877
4.544
9.334
8.842
 CE2
OH
OH
OH
CG
 O3'
C3'
OP2
N7
OP2
1p3p 3 P62799 99.02 7e-67 X-RAY
 2004-02-24 TYR D:51 B:51 20.0 0.087 H -56.1 -49.5 20.0 0.087 0.0 DA
DT
DT
DG
DA
DA
HOH
 8.834
9.954
8.591
6.001
4.424
9.431
5.237
 CD1
CE2
CE2
OH
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
OP2
O
TYR H:51 F:251 20.0 0.087 H -62.1 -44.0 20.0 0.087 0.0 DC
DT
DG
DA
DT
HOH
 8.942
6.339
4.562
9.845
8.777
2.513
 CE1
OH
OH
OH
CD2
OH
 O3'
C3'
OP2
OP2
OP2
O
6dzt 2 P84040 98.06 7e-67 EM
 2019-05-22 TYR B:53 B:51 17.0 0.074 H -72.7 -40.0 17.0 0.074 0.0 DA
DC
DC
DC
 8.999
9.217
6.400
4.938
 CD1
CE2
OH
OH
 OP2
O3'
C3'
OP2
TYR F:53 F:51 19.0 0.083 H -73.3 -40.6 19.0 0.083 0.0 DA
DC
DG
DT
DC
 9.073
6.466
4.918
8.461
9.000
 CE2
OH
OH
OH
CG
 O3'
C3'
OP2
C7
OP2
5f99 2 P62799 99.03 7e-67 X-RAY
 2016-02-03 TYR B:52 B:51 19.0 0.083 H -49.5 -35.5 19.0 0.083 0.0 DG
DG
DA
DC
DG
HOH
 8.993
9.249
5.225
3.956
9.456
5.517
 CD1
CE2
OH
OH
OH
N
 OP2
O3'
C3'
OP2
OP2
O
TYR F:52 F:51 23.0 0.1 H -67.0 -47.0 23.0 0.1 0.0 DA
DC
DT
DT
DG
HOH
 9.617
6.619
4.814
8.286
8.664
2.774
 CE2
OH
OH
OH
CD1
OH
 O3'
C3'
OP2
C7
OP2
O
2nqb 3 P84040 98.06 7e-67 X-RAY
 2007-09-11 TYR D:52 B:51 17.0 0.074 H -53.1 -48.0 17.0 0.074 0.0 DA
DT
DT
DG
DA
DA
HOH
 8.932
9.993
9.539
6.017
4.528
9.549
2.571
 CD1
OH
CE2
OH
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
OP2
O
TYR H:52 F:251 20.0 0.087 H -62.9 -45.4 20.0 0.087 0.0 DC
DT
DG
DA
DT
HOH
 9.348
6.241
4.428
9.629
8.949
2.501
 CE1
OH
OH
OH
CD2
OH
 O3'
C3'
OP2
N7
OP2
O
2pyo 4 P84040 99.02 1e-66 X-RAY
 2007-11-06 TYR D:51 B:51 16.0 0.07 H -51.0 -47.7 16.0 0.07 0.0 DT
DC
DT
DG
DA
 8.619
9.260
6.205
4.467
9.702
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
TYR H:51 F:51 24.0 0.104 H -59.6 -50.8 24.0 0.104 0.0 DC
DT
DG
DA
DT
HOH
 9.448
6.599
4.684
9.616
8.819
2.611
 CE1
OH
OH
OH
CD2
OH
 O3'
C3'
OP2
OP2
OP2
O
4qlc 4 P84040 99.02 1e-66 X-RAY
 2015-07-22 TYR D:51 B:51 21.0 0.091 H -62.0 -47.9 21.0 0.091 0.0 DC
DA
DC
DG
DT
 9.135
8.934
6.226
4.194
8.432
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR H:51 F:51 26.0 0.113 H -59.1 -42.2 26.0 0.113 0.0 DC
DC
DC
DG
DA
 9.013
6.060
4.119
9.428
8.829
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
OP2
OP2
1p3o 3 P62799 99.02 2e-66 X-RAY
 2004-02-24 TYR D:51 B:51 16.0 0.07 H -50.8 -49.9 16.0 0.07 0.0 DA
DT
DT
DG
DA
DA
 8.678
9.999
9.044
5.946
4.307
9.501
 CD1
OH
CE2
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
OP2
TYR H:51 F:251 19.0 0.083 H -55.4 -52.5 19.0 0.083 0.0 DC
DT
DG
DA
DT
HOH
 8.376
6.236
4.480
9.709
8.950
2.669
 CE1
OH
OH
OH
CD2
OH
 O3'
C3'
OP2
N7
OP2
O
1p3g 3 P62799 99.02 2e-66 X-RAY
 2004-02-24 TYR D:51 B:51 19.0 0.083 H -50.4 -58.4 19.0 0.083 0.0 DA
DT
DG
DA
DA
HOH
 8.463
9.357
6.200
4.576
9.570
2.935
 CD1
CE2
OH
OH
OH
CB
 OP2
O3'
C3'
OP2
OP2
O
TYR H:51 F:251 21.0 0.091 H -61.7 -48.8 21.0 0.091 0.0 DC
DT
DG
DA
DT
HOH
 8.756
6.199
4.347
9.978
8.943
2.515
 CE1
OH
OH
OH
CD2
OH
 O3'
C3'
OP2
OP2
OP2
O
1p3i 3 P62799 99.02 2e-66 X-RAY
 2004-02-24 TYR D:51 B:51 20.0 0.087 H -63.8 -48.1 20.0 0.087 0.0 DA
DT
DT
DG
DA
DA
HOH
 8.931
9.824
8.928
6.331
4.744
9.690
3.352
 CD1
CE2
CE2
OH
OH
OH
N
 OP2
C7
O3'
C3'
OP2
OP2
O
TYR H:51 F:251 22.0 0.096 H -59.4 -51.9 22.0 0.096 0.0 DC
DT
DG
DA
DT
HOH
 9.071
6.572
4.550
9.866
8.775
2.810
 CE1
OH
OH
OH
CD2
OH
 O3'
C3'
OP2
OP2
OP2
O
7v6q 3 P62805 100.0 3e-66 X-RAY
 2021-12-29 TYR C:51 C:51 39.0 0.17 H -60.7 -52.4 39.0 0.17 0.0 GOL
1PE
HOH
 7.932
5.704
5.658
 O
OH
OH
 O1
C12
O
TYR G:51 G:51 37.0 0.161 H -60.3 -51.9 NA NA NA
1p3b 3 P62799 99.02 3e-66 X-RAY
 2004-02-24 TYR D:51 B:51 13.0 0.057 H -65.5 -39.4 13.0 0.057 0.0 DA
DT
DG
DA
DA
HOH
 8.771
8.696
5.929
4.335
9.493
3.393
 CD1
CE2
OH
OH
OH
CB
 OP2
O3'
C3'
OP2
OP2
O
TYR H:51 F:251 20.0 0.087 H -60.9 -48.2 20.0 0.087 0.0 DC
DT
DG
DA
DT
HOH
 8.922
6.328
4.471
9.927
8.817
2.766
 CE1
OH
OH
OH
CD2
OH
 O3'
C3'
OP2
N7
OP2
O
1p3f 3 P62799 99.02 4e-66 X-RAY
 2004-02-24 TYR D:51 B:51 16.0 0.07 H -43.6 -54.0 16.0 0.07 0.0 DA
DT
DG
DA
DA
HOH
 8.646
9.032
5.939
4.322
9.565
3.004
 CD1
CE2
OH
OH
OH
CB
 OP2
O3'
C3'
OP2
OP2
O
TYR H:51 F:251 15.0 0.065 H -71.6 -42.8 15.0 0.065 0.0 DC
DT
DG
DA
DT
HOH
 9.135
6.233
4.432
9.929
8.710
3.477
 CE1
OH
OH
OH
CD2
N
 O3'
C3'
OP2
OP2
OP2
O
6muo 2 P62805 100.0 6e-62 EM
 2019-07-24 TYR B:44 B:51 34.0 0.148 H -64.0 -23.7 34.0 0.148 0.0 DA
DT
DG
DA
DA
DC
 8.595
9.276
6.741
4.308
9.099
9.877
 CE2
CE2
OH
OH
OH
OH
 OP2
C7
O3'
OP2
N6
N4
TYR F:44 F:51 46.0 0.2 H -61.5 -26.1 46.0 0.2 0.0 DG
DA
DA
DA
DC
DG
 9.576
6.495
4.171
8.861
9.889
8.459
 CE2
OH
OH
OH
OH
CE2
 O3'
C3'
OP2
N7
N4
OP2
6mup 2 P62805 100.0 6e-62 EM
 2019-07-24 TYR B:44 B:51 21.0 0.091 H -74.1 -19.0 21.0 0.091 0.0 DA
DT
DT
DG
DA
DA
 8.547
9.761
9.602
6.526
4.409
9.508
 CD2
CE2
CE2
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
OP2
TYR F:44 F:51 27.0 0.117 H -71.8 -31.1 27.0 0.117 0.0 DG
DA
DA
DG
 9.924
6.389
4.510
8.575
 CE2
OH
OH
CE2
 O3'
C3'
OP2
OP2
7k6q 2 P62799 100.0 1e-60 EM
 2021-02-10 TYR B:41 B:51 20.0 0.087 H -70.4 -48.2 20.0 0.087 0.0 DC
DA
DC
DG
DT
 8.965
8.695
5.994
4.228
7.681
 CG
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR F:41 F:51 27.0 0.117 H -68.9 -48.5 27.0 0.117 0.0 DC
DC
DC
DG
DA
 8.484
5.917
3.997
9.409
8.588
 CE2
OH
OH
OH
CD2
 O3'
C3'
OP2
N7
OP2
7k6p 2 P62799 100.0 2e-59 EM
 2021-02-10 TYR B:39 B:51 19.0 0.083 H -70.8 -47.8 19.0 0.083 0.0 DC
DA
DC
DG
DT
 9.136
8.859
5.766
4.288
7.870
 CD2
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR F:39 F:51 24.0 0.104 H -65.7 -48.8 24.0 0.104 0.0 DC
DC
DC
DG
DA
 8.537
5.904
3.978
9.471
8.689
 OH
OH
OH
OH
CD2
 O3'
C3'
OP2
N7
OP2
6iy2 2 P62799 100.0 4e-58 EM
 2019-04-03 TYR B:37 B:51 26.0 0.113 H -66.8 -51.9 26.0 0.113 0.0 DG
DG
DA
DC
DG
 9.099
9.439
6.515
5.059
9.717
 CE2
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
TYR F:37 F:51 31.0 0.135 H -74.7 -53.3 31.0 0.135 0.0 DA
DC
DT
DT
DG
 9.528
7.018
4.967
8.744
8.995
 CE2
OH
OH
OH
CE2
 O3'
O3'
OP2
C7
OP2
6iy3 2 P62799 100.0 4e-58 EM
 2019-04-03 TYR B:37 B:51 19.0 0.083 H -63.4 -50.6 19.0 0.083 0.0 DG
DG
DA
DC
DG
 9.236
9.795
6.136
4.233
9.995
 CE2
CE2
OH
OH
OH
 OP2
O3'
O3'
OP2
OP2
TYR F:37 F:51 26.0 0.113 H -65.5 -49.4 26.0 0.113 0.0 DA
DC
DT
DT
DG
 9.701
6.594
4.604
8.255
8.744
 CE2
OH
OH
OH
CE2
 O3'
C3'
OP2
C7
OP2
3w99 2 P62805 100.0 1e-57 X-RAY
 2013-08-28 TYR B:54 B:51 18.0 0.078 H -35.6 -50.5 18.0 0.078 0.0 DA
DT
DT
DG
DA
DA
 8.786
9.973
9.407
6.390
4.380
9.789
 CD1
OH
CE2
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
OP2
TYR F:54 F:51 26.0 0.113 H -53.6 -53.1 26.0 0.113 0.0 DC
DT
DG
DA
DT
 9.716
6.270
4.477
9.678
9.052
 OH
OH
OH
OH
CD2
 O3'
C3'
OP2
N7
OP2
1aoi 3 P62799 100.0 2e-57 X-RAY
 1998-09-30 TYR D:36 B:51 17.0 0.074 H -63.8 -47.7 17.0 0.074 0.0 DA
DT
DG
DA
DA
 8.650
9.673
6.136
4.620
9.805
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
N7
TYR H:36 F:51 29.0 0.126 H -62.8 -41.8 29.0 0.126 0.0 DC
DT
DG
DA
DT
 9.403
6.194
4.470
9.829
9.077
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
OP2
OP2
6ipu 5 P62805 100.0 2e-57 X-RAY
 2020-01-15 TYR F:36 F:51 16.0 0.07 H -66.6 -44.1 16.0 0.07 0.0 DT
DG
DA
DA
DA
DT
HOH
 9.499
6.217
4.466
9.557
9.002
9.894
2.691
 CE2
OH
OH
OH
CD1
CE2
OH
 O3'
C3'
OP2
N7
OP2
C7
O
6iq4 5 P62805 100.0 2e-57 X-RAY
 2019-10-30 TYR F:36 F:51 19.0 0.083 H -67.2 -46.2 19.0 0.083 0.0 DT
DG
DA
DA
DA
DT
HOH
 9.518
6.331
4.686
9.580
9.167
9.778
3.137
 CE2
OH
OH
OH
CD1
CE2
OH
 O3'
C3'
OP2
N7
OP2
C7
O
6jm9 4 P62799 100.0 2e-57 EM
 2019-05-15 TYR D:36 B:51 16.0 0.07 H -57.3 -48.9 16.0 0.07 0.0 DA
DT
DT
DG
DA
DA
 9.003
9.580
9.649
6.021
4.475
9.644
 CD1
CE2
CE2
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
OP2
TYR H:36 F:51 19.0 0.083 H -59.6 -48.1 19.0 0.083 0.0 DC
DT
DG
DA
DT
 9.493
6.416
4.514
9.913
8.816
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
OP2
OP2
6jma 3 P62799 100.0 2e-57 EM
 2019-05-15 TYR D:36 B:51 15.0 0.065 H -57.3 -48.9 15.0 0.065 0.0 DA
DT
DT
DG
DA
DA
 9.002
9.579
9.649
6.021
4.476
9.644
 CD1
CE2
CE2
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
OP2
TYR H:36 F:51 18.0 0.078 H -59.6 -48.1 18.0 0.078 0.0 DC
DT
DG
DA
DT
 9.493
6.416
4.513
9.913
8.815
 CE1
OH
OH
OH
CD2
 O3'
C3'
OP2
OP2
OP2
6jxd 6 P62805 100.0 2e-57 X-RAY
 2020-01-15 TYR F:36 F:51 17.0 0.074 H -58.2 -47.3 17.0 0.074 0.0 DA
DC
DC
DG
DA
 9.191
6.239
4.553
9.680
8.816
 CE2
OH
OH
OH
CG
 O3'
C3'
OP2
N7
OP2
6ke9 2 P62805 100.0 2e-57 X-RAY
 2020-04-22 TYR B:36 B:51 17.0 0.074 H -59.9 -48.5 17.0 0.074 0.0 DG
DC
DT
DA
DA
 9.222
9.282
6.465
4.304
9.343
 CD1
CE2
OH
OH
OH
 OP2
O3'
O3'
OP2
N7
TYR F:36 F:51 17.0 0.074 H -59.6 -46.2 17.0 0.074 0.0 DG
DG
DG
DT
DC
DT
DA
 9.136
5.732
4.265
8.473
8.660
9.588
9.838
 CE2
OH
OH
OH
CD1
CE2
OH
 O3'
C3'
OP2
C7
OP2
C7
N6
6l9h 2 P62805 100.0 2e-57 X-RAY
 2020-04-22 TYR B:36 B:51 14.0 0.061 H -48.5 -37.2 14.0 0.061 0.0 DG
DG
DC
DT
DA
DA
 8.852
9.819
9.096
6.201
4.074
9.538
 CD1
OH
CE2
OH
OH
OH
 OP2
O6
O3'
C3'
OP2
N7
TYR F:36 F:51 20.0 0.087 H -49.0 -34.8 20.0 0.087 0.0 DG
DG
DG
DT
DC
DT
DA
 9.281
5.477
3.820
8.375
9.054
9.944
9.967
 CE2
OH
OH
OH
CD1
CE2
OH
 O3'
C3'
OP2
C7
OP2
C7
N6
6le9 2 P62805 100.0 2e-57 X-RAY
 2020-04-22 TYR B:36 B:51 14.0 0.061 H -51.1 -35.7 14.0 0.061 0.0 DC
DT
DA
DG
DG
DG
DT
 8.994
9.325
9.880
9.205
5.673
4.021
7.485
 CD1
CE2
OH
CE2
OH
OH
OH
 OP2
C7
N6
O3'
C2'
OP2
C7
TYR F:36 F:51 26.0 0.113 H -50.7 -30.0 26.0 0.113 0.0 DC
DT
DA
DA
DG
 9.429
5.709
3.852
8.931
8.987
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
OP2
OP2
6r1t 2 ? 100.0 2e-57 EM
 2019-04-24 TYR B:36 B:51 22.0 0.096 H -73.6 -42.2 22.0 0.096 0.0 DA
DC
DC
DC
DG
 8.622
8.588
5.943
4.670
9.857
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
N7
TYR F:36 F:51 32.0 0.139 H -76.2 -36.2 32.0 0.139 0.0 DA
DC
DG
DT
DC
 8.289
5.924
4.400
8.744
8.971
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
C7
OP2
6fq8 2 P62799 100.0 1e-56 EM
 2018-04-18 TYR B:35 B:51 17.0 0.074 H -66.8 -56.4 17.0 0.074 0.0 DA
DC
DC
DC
DG
 9.954
6.897
3.985
2.960
9.187
 CB
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
TYR F:35 F:51 36.0 0.157 H -63.6 -46.1 36.0 0.157 0.0 DA
DC
DG
DT
DC
 7.582
4.024
2.411
7.540
9.633
 CE2
OH
OH
OH
CD1
 O3'
O3'
OP2
C7
OP2
6fq5 5 P62799 100.0 4e-56 EM
 2018-04-18 TYR F:34 F:51 33.0 0.143 H -58.1 -42.1 33.0 0.143 0.0 DA
DC
DG
DT
DC
 8.297
5.442
3.905
8.030
9.216
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
C7
OP2
6fq6 2 P62799 100.0 4e-56 EM
 2018-04-18 TYR B:34 B:51 21.0 0.091 H -64.5 -49.2 21.0 0.091 0.0 DA
DC
DC
DC
DG
 9.674
7.232
4.085
2.458
8.505
 CD1
CE2
OH
OH
OH
 OP2
O3'
O3'
OP2
OP2
TYR F:34 F:51 26.0 0.113 H -62.9 -46.2 26.0 0.113 0.0 DA
DC
DG
DT
 7.522
3.975
2.469
7.645
 CE2
OH
OH
OH
 O3'
O3'
OP2
C7
6fq5 2 P62799 100.0 2e-55 EM
 2018-04-18 TYR B:34 B:51 21.0 0.091 H -61.4 -47.6 21.0 0.091 0.0 DA
DC
DC
DC
DG
 8.660
8.376
5.711
4.237
9.813
 CE1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
5mlu 2 P62799 100.0 7e-55 X-RAY
 2017-05-10 TYR B:33 B:51 20.0 0.087 H -66.4 -42.3 20.0 0.087 0.0 DA
DC
DC
DC
DG
HOH
 8.794
9.161
6.035
4.329
9.436
3.351
 CD1
CE2
OH
OH
OH
N
 OP2
O3'
C3'
OP2
N7
O
TYR F:33 F:51 15.0 0.065 H -64.7 -44.4 15.0 0.065 0.0 DA
DC
DG
DT
DC
HOH
 8.855
6.299
4.500
8.353
8.767
4.304
 CE2
OH
OH
OH
CD1
OH
 O3'
C3'
OP2
C7
OP2
O
2hue 3 P62799 100.0 2e-54 X-RAY
 2006-11-21 TYR C:33 C:51 36.0 0.157 H -62.8 -49.6 36.0 0.157 0.0 HOH
 2.535
 OH
 O
3nqj 2 P62805 100.0 2e-54 X-RAY
 2010-08-25 TYR B:33 B:51 35.0 0.152 H -59.9 -55.0 35.0 0.152 0.0 PO4
PO4
PO4
HOH
 6.683
2.705
4.814
3.445
 OH
OH
OH
CB
 O1
O4
O1
O
4zbj 3 P62799 100.0 2e-54 X-RAY
 2015-07-15 TYR C:33 C:51 25.0 0.109 H -61.4 -57.2 25.0 0.109 0.0 CL
HOH
 5.640
2.618
 OH
OH
 CL
O
6yn1 4 P62799 100.0 2e-54 X-RAY
 2021-11-17 TYR D:33 D:51 10.0 0.043 H -62.1 -47.2 10.0 0.043 0.0 HOH
 3.688
 CB
 O
TYR I:33 I:51 23.0 0.1 H -67.5 -45.7 23.0 0.1 0.0 HOH
 2.679
 OH
 O
TYR N:33 N:51 35.0 0.152 H -65.7 -44.5 NA NA NA
TYR S:33 S:51 30.0 0.13 H -67.0 -47.8 NA NA NA
TYR X:33 X:51 40.0 0.174 H -65.2 -45.1 NA NA NA
TYR CA:33 c:51 25.0 0.109 H -66.9 -43.5 NA NA NA
TYR HA:33 h:51 22.0 0.096 H -65.0 -50.4 NA NA NA
TYR MA:33 m:51 18.0 0.078 H -66.3 -43.6 NA NA NA
3kwq 2 P62799 100.0 3e-54 X-RAY
 2010-05-12 TYR B:32 B:51 26.0 0.113 H -55.3 -45.3 26.0 0.113 0.0 DA
DT
DT
DG
DA
DA
 9.319
9.887
9.369
5.883
4.098
8.974
 CD1
OH
CE2
OH
OH
OH
 OP2
C7
O3'
C3'
OP2
OP2
TYR F:32 F:51 16.0 0.07 H -50.2 -55.0 16.0 0.07 0.0 DC
DT
DG
DA
DT
 9.227
6.454
4.336
9.040
8.857
 CE1
OH
OH
OH
CD2
 O3'
C3'
OP2
OP2
OP2
4h9s 2 P62805 100.0 3e-54 X-RAY
 2012-10-17 TYR C:32 C:51 47.0 0.204 H -60.8 -57.4 47.0 0.204 0.0 PO4
HOH
 9.059
3.842
 CD1
CB
 O3
O
TYR D:32 D:51 45.0 0.196 H -61.2 -55.1 NA NA NA
6y5e 5 P62805 100.0 3e-54 EM
 2020-09-23 TYR F:32 F:52 25.0 0.109 H -55.2 -47.3 25.0 0.109 0.0 DC
DC
DC
DG
DA
 8.970
5.969
4.148
9.563
8.989
 CE2
OH
OH
OH
CG
 O3'
O3'
OP2
OP2
OP2
6z6p 6 P62799 100.0 3e-54 EM
 2021-02-17 TYR F:32 B:51 21.0 0.091 H -69.1 -26.9 21.0 0.091 0.0 DC
DA
DC
DG
 8.924
7.402
5.401
6.153
 CG
OH
OH
OH
 OP2
O3'
OP2
OP2
6yov 2 P62805 98.84 4e-54 EM
 2020-05-06 TYR B:54 B:52 11.0 0.048 H -56.2 -41.7 11.0 0.048 0.0 DC
DA
DC
DG
DT
 8.621
9.082
6.841
5.176
8.649
 CE2
CE1
CE1
OH
OH
 OP2
O3'
OP2
OP2
C7
4z66 2 P62799 100.0 1e-53 X-RAY
 2015-10-14 TYR B:31 B:51 22.0 0.096 H -55.9 -43.3 22.0 0.096 0.0 DT
DC
DT
DG
DA
 8.587
9.348
6.439
4.522
9.470
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
TYR F:31 F:251 21.0 0.091 H -62.2 -50.4 21.0 0.091 0.0 DC
DT
DG
DA
DT
HOH
 9.524
6.579
4.629
9.636
8.681
2.510
 CE1
OH
OH
OH
CD2
OH
 O3'
C3'
OP2
OP2
OP2
O
5wcu 2 P84040 100.0 1e-53 X-RAY
 2018-10-31 TYR B:31 B:51 43.0 0.187 H -60.9 -40.5 43.0 0.187 0.0 DA
DC
DG
DT
 7.850
5.186
3.908
8.198
 CE2
OH
OH
OH
 O3'
C5'
OP2
C7
TYR F:31 F:51 34.0 0.148 H -61.2 -40.7 34.0 0.148 0.0 DC
DC
DC
DG
DC
DA
DA
DC
DG
 9.928
6.725
4.559
9.197
8.158
9.868
7.729
9.151
9.321
 CE2
OH
OH
OH
OH
CE1
CD1
OH
OH
 O3'
C3'
OP2
N7
N4
C3'
OP2
N4
O6
TYR L:31 L:51 54.0 0.235 H -61.0 -40.6 NA NA NA
TYR P:31 P:51 28.0 0.122 H -61.3 -40.5 NA NA NA
6ipu 2 P62805 100.0 1e-53 X-RAY
 2020-01-15 TYR B:31 B:51 14.0 0.061 H -63.6 -46.6 14.0 0.061 0.0 DA
DT
DT
DG
DA
DA
HOH
 8.993
9.906
8.920
6.088
4.689
9.640
3.383
 CD1
CE2
CE2
OH
OH
OH
CB
 OP2
C7
O3'
C3'
OP2
OP2
O
6iq4 2 P62805 100.0 1e-53 X-RAY
 2019-10-30 TYR B:31 B:51 15.0 0.065 H -61.9 -44.7 15.0 0.065 0.0 DA
DT
DG
DA
DA
 8.909
9.026
5.972
4.569
9.545
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
N7
6jxd 2 P62805 100.0 1e-53 X-RAY
 2020-01-15 TYR B:31 B:51 13.0 0.057 H -65.1 -44.5 13.0 0.057 0.0 DC
DA
DC
DG
DT
 9.011
9.277
5.231
4.649
8.668
 CD1
CE2
OH
OH
OH
 OP2
O3'
O3'
OP2
C7
4eo5 3 P62799 98.8 2e-53 X-RAY
 2012-06-13 TYR C:32 C:51 32.0 0.139 H -55.4 -50.8 32.0 0.139 0.0 HOH
 3.384
 CB
 O
6y5e 2 P62805 100.0 6e-53 EM
 2020-09-23 TYR B:30 B:52 25.0 0.109 H -57.5 -44.3 25.0 0.109 0.0 DC
DA
DC
DG
DT
 9.137
9.308
6.416
4.568
8.540
 CD2
CE1
OH
OH
OH
 OP2
O3'
O3'
OP2
C7
6uph 2 Q6CMU6 91.86 6e-53 EM
 2019-11-06 TYR B:67 B:52 21.0 0.091 H -65.4 -36.1 21.0 0.091 0.0 DC
DA
DC
DG
DT
 9.451
9.071
6.472
4.507
8.998
 CG
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR F:67 F:52 23.0 0.1 H -67.0 -40.4 23.0 0.1 0.0 DC
DC
DC
DG
DA
 9.157
6.586
4.718
9.681
9.684
 CE2
OH
OH
OH
CG
 O3'
C3'
OP2
OP2
OP2
4xyi 2 B6JV96 89.53 6e-53 X-RAY
 2016-02-03 TYR B:52 NA:NA DO NA DO DO DO NA NA NA
2yfw 2 Q6CMU6 91.86 7e-53 X-RAY
 2011-05-25 TYR B:52 B:51 21.0 0.091 H -59.1 -51.4 21.0 0.091 0.0 HOH
 5.449
 OH
 O
TYR D:52 D:51 28.0 0.122 H -56.9 -46.9 NA NA NA
TYR F:52 F:51 20.0 0.087 H -59.9 -46.9 NA NA NA
TYR H:52 H:51 21.0 0.091 H -58.8 -49.3 21.0 0.091 0.0
4kud 2 P02309 90.7 2e-52 X-RAY
 2013-08-07 TYR B:52 B:51 13.0 0.057 H -63.9 -43.8 13.0 0.057 0.0 DA
DT
DG
DA
DA
HOH
 9.116
9.282
5.825
4.529
9.922
8.153
 CD1
CE2
OH
OH
OH
OH
 OP2
O3'
C3'
OP2
N7
O
TYR F:52 F:51 25.0 0.109 H -57.2 -52.1 25.0 0.109 0.0 DC
DT
DG
DA
DT
HOH
 9.259
6.286
4.435
9.890
8.919
9.947
 CE2
OH
OH
OH
CD1
O
 O3'
O3'
OP2
OP2
OP2
O
5zba 4 P02309 90.7 2e-52 X-RAY
 2018-07-25 TYR D:52 D:51 21.0 0.091 H -64.5 -33.9 12.0 0.052 0.039 C:P61830:0.039
 IOD
IOD
IOD
 8.885
4.083
7.033
 OH
N
N
 I
I
I
5zbb 4 P02309 90.7 2e-52 X-RAY
 2018-07-25 TYR D:52 D:51 20.0 0.087 H -62.4 -35.9 8.0 0.035 0.052 C:P61830:0.052
 IOD
IOD
IOD
 8.964
6.800
4.088
 OH
N
N
 I
I
I
6gej 3 P02309 90.7 2e-52 EM
 2018-10-17 TYR D:52 C:51 23.0 0.1 H -66.5 -29.8 23.0 0.1 0.0 DC
DC
DC
DA
 9.334
6.213
4.718
9.526
 CE2
OH
OH
CD1
 O3'
C3'
OP2
OP2
TYR E:52 D:51 23.0 0.1 H -66.4 -29.9 23.0 0.1 0.0 DC
DA
DC
DG
DT
 9.192
8.908
5.914
4.879
8.537
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
6gen 3 P02309 90.7 2e-52 EM
 2018-10-17 TYR D:52 C:51 22.0 0.096 H -70.9 -34.6 22.0 0.096 0.0 DC
DC
DC
DA
 9.215
6.199
4.862
9.498
 OH
OH
OH
CD1
 O3'
C3'
OP2
OP2
TYR E:52 D:51 22.0 0.096 H -71.0 -34.5 22.0 0.096 0.0 DC
DA
DC
DG
DT
 9.319
8.726
5.709
5.192
8.985
 CD1
OH
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
7k78 2 P02309 90.7 2e-52 EM
 2021-03-31 TYR B:52 B:52 20.0 0.087 H -62.0 -43.9 20.0 0.087 0.0 DT
DT
DA
DA
 9.000
8.976
6.210
4.492
 CG
CE2
OH
OH
 OP2
O3'
C3'
OP2
TYR F:52 F:52 28.0 0.122 H -61.3 -44.7 28.0 0.122 0.0 DT
DA
DA
DA
DA
 9.327
6.447
4.442
9.917
8.749
 CE2
OH
OH
OH
CE2
 O3'
C3'
OP2
OP2
OP2
7k7g 2 P02309 90.7 2e-52 EM
 2021-03-31 TYR B:52 B:52 18.0 0.078 H -62.7 -43.4 18.0 0.078 0.0 DC
DC
DG
DT
 8.542
6.797
5.501
8.580
 CD1
OH
OH
OH
 OP2
O3'
OP1
C7
TYR F:52 F:52 19.0 0.083 H -62.8 -43.4 19.0 0.083 0.0 DC
DC
DC
DA
 9.074
6.708
4.406
8.292
 OH
OH
OH
CD1
 O3'
C3'
OP2
OP2
1id3 3 P02309 90.7 2e-52 X-RAY
 2001-09-28 TYR D:51 B:51 16.0 0.07 H -57.2 -58.8 16.0 0.07 0.0 DA
DT
DG
DA
DA
HOH
 8.988
9.388
5.986
4.405
9.353
6.140
 CD1
CE2
OH
OH
OH
CE2
 OP2
O3'
C3'
OP2
OP2
O
TYR H:51 F:51 14.0 0.061 H -49.0 -62.8 14.0 0.061 0.0 DC
DT
DG
DA
DT
HOH
 9.127
6.292
4.519
9.961
8.548
3.142
 CE1
OH
OH
OH
CD2
CB
 O3'
C3'
OP2
OP2
OP2
O
4jjn 2 P02309 90.7 2e-52 X-RAY
 2013-05-15 TYR B:51 B:51 15.0 0.065 H -53.6 -39.8 15.0 0.065 0.0 DC
DC
DC
DG
DA
 9.115
6.042
4.243
9.439
8.668
 CE2
OH
OH
OH
CD1
 O3'
O3'
OP2
OP2
OP2
TYR F:51 F:51 16.0 0.07 H -55.8 -41.1 16.0 0.07 0.0 DC
DA
DC
DG
DT
 8.591
8.798
6.068
4.403
7.798
 CD1
CE2
OH
OH
OH
 OP2
O3'
O3'
OP2
C7
7on1 2 A0A6A5Q1V3 90.7 2e-52 EM
 2021-07-07 TYR B:54 b:52 24.0 0.104 H -63.4 -39.0 24.0 0.104 0.0 DC
DA
DC
DG
DT
 9.296
9.355
7.177
5.338
9.647
 CE1
OH
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR E:54 f:52 20.0 0.087 H -63.5 -39.3 20.0 0.087 0.0 DC
DC
DC
DG
 9.221
6.014
4.867
9.896
 OH
OH
OH
OH
 O3'
C3'
OP2
OP2
7ccq 2 ? 100.0 3e-52 EM
 2020-10-07 TYR B:29 B:51 22.0 0.096 H -67.7 -47.0 22.0 0.096 0.0 DA
DC
DC
DC
DG
 8.151
9.218
6.291
4.230
9.470
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
N7
TYR F:29 F:51 32.0 0.139 H -66.2 -46.7 32.0 0.139 0.0 DA
DC
DG
DT
DC
 8.967
6.379
4.295
8.175
8.548
 CE2
OH
OH
OH
CD1
 O3'
O3'
OP2
C7
OP2
7ccr 2 ? 100.0 3e-52 EM
 2020-10-07 TYR B:29 B:51 13.0 0.057 H -68.5 -44.3 13.0 0.057 0.0 DA
DC
DC
DC
DG
 8.456
9.232
6.572
4.681
9.803
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
TYR F:29 F:51 32.0 0.139 H -68.7 -47.1 32.0 0.139 0.0 DA
DC
DG
DT
DC
 8.772
6.381
4.735
8.833
8.641
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
C7
OP2
TYR M:29 M:51 15.0 0.065 H -68.5 -44.2 15.0 0.065 0.0 DA
DC
DC
DC
DG
 8.456
9.231
6.572
4.681
9.803
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
TYR Q:29 Q:51 34.0 0.148 H -68.7 -47.1 34.0 0.148 0.0 DA
DC
DG
DT
DC
 8.770
6.381
4.735
8.833
8.641
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
C7
OP2
4x23 4 P84040 100.0 1e-51 X-RAY
 2014-12-10 TYR D:28 B:51 13.0 0.057 H -60.5 -36.6 13.0 0.057 0.0 DC
DA
DC
DG
DT
 8.852
8.876
6.132
4.191
8.101
 CD1
CE2
OH
OH
OH
 OP2
O3'
O3'
OP2
C7
TYR H:28 F:51 12.0 0.052 H -59.9 -36.5 12.0 0.052 0.0 DC
DC
DC
DG
DA
 8.597
5.940
4.143
9.455
8.546
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
N7
OP2
TYR P:28 L:51 15.0 0.065 H -59.8 -36.5 NA NA NA
TYR T:28 P:51 15.0 0.065 H -59.6 -36.5 NA NA NA
4xzq 2 P62799 100.0 1e-51 X-RAY
 2015-10-14 TYR B:28 B:51 26.0 0.113 H -55.2 -47.8 26.0 0.113 0.0 DT
DC
DT
DG
DA
 8.686
9.501
6.345
4.412
9.501
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
TYR F:28 F:251 21.0 0.091 H -62.5 -44.5 21.0 0.091 0.0 DC
DT
DG
DA
DT
HOH
 9.578
6.401
4.496
9.710
8.902
2.516
 CE1
OH
OH
OH
CD2
OH
 O3'
C3'
OP2
OP2
OP2
O
4ys3 2 P62799 100.0 1e-51 X-RAY
 2015-10-14 TYR B:28 B:51 18.0 0.078 H -59.7 -51.1 18.0 0.078 0.0 DT
DC
DT
DG
DA
 8.964
9.494
6.602
4.604
9.701
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
OP2
TYR F:28 F:251 30.0 0.13 H -65.7 -41.6 30.0 0.13 0.0 DC
DT
DG
DA
DT
 9.546
6.940
4.875
9.613
8.904
 CE1
OH
OH
OH
CD2
 O3'
C3'
OP2
OP2
OP2
7ktq 2 P62799 100.0 1e-51 EM
 2021-02-03 TYR B:28 B:51 17.0 0.074 H -64.7 -44.3 17.0 0.074 0.0 DC
DA
DC
DG
DT
 8.774
8.986
6.535
4.844
8.214
 CD1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR F:28 F:51 20.0 0.087 H -64.8 -44.3 20.0 0.087 0.0 DC
DC
DC
DG
DA
 9.241
6.642
5.442
9.354
8.735
 CE2
OH
OH
OH
CD1
 O3'
C3'
OP2
OP2
OP2
7ea5 2 ? 100.0 4e-51 EM
 2021-07-14 TYR B:28 B:51 17.0 0.074 H -72.9 -41.1 17.0 0.074 0.0 DC
DA
DC
DG
DT
 8.760
9.631
7.322
6.028
9.212
 CE1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR F:28 F:51 16.0 0.07 H -74.1 -40.6 16.0 0.07 0.0 DC
DC
DC
DA
 9.677
7.191
5.413
8.992
 CE2
OH
OH
CE1
 O3'
C3'
OP2
OP2
7ea8 3 ? 100.0 4e-51 EM
 2021-07-14 TYR C:28 B:51 14.0 0.061 H -71.0 -45.2 14.0 0.061 0.0 DC
DA
DC
DG
DT
 9.066
9.655
7.131
5.058
9.003
 CE1
CE2
OH
OH
OH
 OP2
O3'
C3'
OP2
C7
TYR G:28 F:51 18.0 0.078 H -74.7 -42.2 18.0 0.078 0.0 DC
DC
DC
DA
 9.930
7.423
5.838
9.289
 CE2
OH
OH
CE1
 O3'
C3'
OP2
OP2
6z6p 10 P62799 100.0 1e-50 EM
 2021-02-17 TYR J:27 F:51 14.0 0.061 H -71.2 -45.8 14.0 0.061 0.0 DC
DC
DC
DA
 9.123
6.914
6.763
8.729
 OH
CE2
OH
CD1
 O3'
OP2
OP2
OP2
6qld 16 P02309 91.14 1e-47 EM
 2019-10-02 TYR P:28 b:52 9.0 0.039 H -69.7 -40.6 9.0 0.039 0.0 DC
DA
DC
DG
DT
 9.009
8.429
5.958
5.586
8.559
 CD2
OH
OH
OH
OH
 OP2
O3'
O5'
OP2
C7
TYR S:28 f:52 24.0 0.104 H -69.2 -39.9 24.0 0.104 0.0 DC
DC
DC
DG
DA
 9.061
5.618
5.325
9.520
8.907
 CE2
OH
OH
OH
CD2
 O3'
C3'
OP1
OP2
OP2
2yfv 2 Q6CMU6 91.89 6e-44 X-RAY
 2011-05-25 TYR B:28 B:51 37.0 0.161 H -57.1 -54.9 37.0 0.161 0.0 HOH
 2.912
 OH
 O
2l5a 1 P36012,Q12334,P02309 87.3 2e-33 NMR
 2011-03-16 TYR A:184 A:174 18.0 0.078 H -59.4 -33.1 18.0 0.078 0.0
2ly8 1 ? 86.89 1e-32 NMR
 2012-12-12 TYR A:70 A:70 182.0 0.791 H -61.1 -42.5 182.0 0.791 0.0

AlphaFold DB

Entity Residue Monomer View
ID Entity Uniprot Identity Evalue Name Label Auth ASA rASA SS φ ψ
af-p62805-f1 1 P62805 100.0 2e-68 TYR A:52 A:52 21.0 0.091 H -65.2 -45.2
af-q99525-f1 1 Q99525 85.0 1e-40 TYR A:52 A:52 27.0 0.117 H -64.8 -44.8