Variant

Genome Chromosome Position VCF ID Ref Alt mRNA Change mRNA Info
GRCh37 chr11 118966009 . G A CCDS8410.1:NM_002105.2:c.96caC>caT_NP_002096.1:p.32H>H Homo sapiens H2A histone family member X (H2AFX), 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)
6k1i 3 P16104 100.0 2e-99 X-RAY
 2020-01-15 HIS C:35 C:31 34.0 0.174 H -61.5 -43.3 34.0 0.174 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
CL
HOH
 8.335
6.262
6.364
8.770
9.787
8.688
6.064
4.258
8.433
9.303
8.396
6.529
 C
C
CB
ND1
CE1
NE2
NE2
CE1
CE1
CE1
NE2
N
 O3'
OP2
OP2
C7
O6
O3'
C3'
OP2
C5
N4
CL
O
HIS G:35 G:31 43.0 0.221 H -57.9 -46.2 43.0 0.221 0.0 DC
DT
DA
DG
DT
DG
DG
DA
CL
HOH
 8.775
6.001
4.362
8.722
9.772
9.413
6.686
6.977
7.891
3.419
 NE2
NE2
CE1
CE1
CE1
C
C
ND1
NE2
ND1
 O3'
C3'
OP2
N7
O4
O3'
C5'
OP2
CL
O
6k1j 3 P16104 100.0 2e-99 X-RAY
 2020-01-15 HIS C:35 C:31 19.0 0.097 H -73.3 -38.8 19.0 0.097 0.0 DA
DA
DG
DT
DA
DA
DT
DA
CL
 8.833
6.379
6.528
9.141
9.187
6.743
5.204
9.994
8.007
 C
C
CB
CD2
NE2
CE1
NE2
CE1
NE2
 O3'
OP2
OP2
C7
O3'
O3'
OP2
OP2
CL
HIS G:35 G:31 12.0 0.062 H -55.9 -51.2 12.0 0.062 0.0 DA
DT
DA
DC
DA
DA
DA
CL
 9.388
6.164
4.142
9.448
8.791
6.518
6.568
8.297
 NE2
NE2
CE1
CE1
C
C
CB
NE2
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
CL
6k1k 3 P16104 99.3 9e-99 X-RAY
 2020-01-15 HIS C:35 C:31 22.0 0.113 H -46.6 -50.2 22.0 0.113 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
CL
MN
HOH
 9.102
6.869
6.445
9.251
8.993
5.970
4.150
8.854
9.948
8.169
9.688
7.157
 C
C
CB
NE2
NE2
CE1
CE1
CE1
CE1
NE2
NE2
N
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
N4
CL
MN
O
HIS G:35 G:31 22.0 0.113 H -55.9 -48.7 22.0 0.113 0.0 DC
DG
DA
DC
DA
DA
DT
DT
CL
HOH
 8.988
5.774
4.467
8.560
9.182
6.894
6.594
8.808
7.990
7.317
 NE2
NE2
CE1
CE1
C
C
CB
ND1
NE2
N
 O3'
C3'
OP2
N4
O3'
OP2
OP2
C7
CL
O
1eqz 2 P02263 95.93 2e-80 X-RAY
 2000-04-17 HIS C:32 A:31 12.0 0.062 H -61.8 -45.1 12.0 0.062 0.0 DA
DA
DG
DT
DA
DA
DT
CL
HOH
 8.955
6.494
6.948
9.792
9.046
6.916
5.221
8.210
3.744
 C
C
CB
CD2
NE2
NE2
CE1
NE2
CB
 O3'
OP2
OP2
C7
O3'
C3'
OP2
CL
O
HIS G:32 E:31 10.0 0.051 H -66.8 -47.2 10.0 0.051 0.0 DA
DA
DT
DA
DA
DG
DT
CL
HOH
 9.179
6.839
5.222
8.925
6.472
6.655
9.090
8.078
4.067
 CE1
NE2
NE2
C
C
ND1
ND1
CE1
CE1
 O3'
C3'
OP2
O3'
OP2
OP2
C7
CL
O
1hq3 1 P02263 95.93 2e-80 X-RAY
 2001-01-24 HIS A:32 A:31 11.0 0.056 H -64.9 -41.6 11.0 0.056 0.0 PO4
CL
CL
CL
HOH
 8.676
4.777
7.645
7.187
3.346
 C
C
CE1
C
CE1
 O2
CL
CL
CL
O
HIS E:32 E:31 7.0 0.036 H -62.3 -44.4 7.0 0.036 0.0 PO4
CL
CL
HOH
 8.503
7.713
8.149
3.638
 C
NE2
N
CD2
 O4
CL
CL
O
1tzy 1 P02263 95.93 2e-80 X-RAY
 2004-08-03 HIS A:32 A:31 11.0 0.056 H -61.1 -46.3 11.0 0.056 0.0 PO4
CL
CL
CL
HOH
 8.632
4.851
7.626
7.115
3.275
 C
C
CE1
C
CE1
 O2
CL
CL
CL
O
HIS E:32 E:31 10.0 0.051 H -61.2 -43.7 10.0 0.051 0.0 PO4
CL
CL
HOH
 8.151
7.863
8.067
2.777
 C
NE2
N
CD2
 O3
CL
CL
O
2aro 1 P02263 95.93 2e-80 X-RAY
 2005-08-30 HIS A:32 A:31 12.0 0.062 H -62.0 -48.6 12.0 0.062 0.0 PO4
CL
CL
CL
HOH
 8.610
4.722
7.769
7.066
3.380
 C
C
NE2
C
CE1
 O1
CL
CL
CL
O
HIS E:32 E:31 14.0 0.072 H -57.0 -46.5 14.0 0.072 0.0 PO4
CL
CL
HOH
 8.274
8.008
8.194
2.801
 C
NE2
N
CD2
 O2
CL
CL
O
6ltj 3 P06897 89.92 5e-80 EM
 2020-02-12 HIS C:32 C:31 20.0 0.103 H -63.3 -41.3 20.0 0.103 0.0 DC
DT
DA
DG
DT
DT
DG
DG
DA
DG
 9.465
5.699
5.779
8.672
9.065
9.554
7.277
6.265
9.108
9.984
 CE1
CE1
NE2
NE2
NE2
C
CB
CB
CD2
NE2
 O3'
O3'
O5'
N7
O4
O3'
C3'
OP2
N6
O6
HIS G:32 G:31 30.0 0.154 H -65.0 -37.8 30.0 0.154 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 8.885
6.771
6.167
7.989
9.922
9.470
6.278
4.269
8.376
9.449
 C
C
ND1
ND1
CE1
NE2
NE2
NE2
CE1
CE1
 O3'
OP1
OP2
C7
O6
O3'
C3'
OP2
C5
N4
6se0 5 Q6FI13 95.12 6e-80 EM
 2019-08-14 HIS G:32 G:31 42.0 0.215 H -64.8 -39.6 42.0 0.215 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 9.443
6.351
4.478
7.953
9.145
8.542
6.491
5.901
9.397
9.429
 NE2
NE2
NE2
CE1
CE1
C
C
CB
CE1
CE1
 O3'
C3'
OP2
N7
O4
O3'
OP1
OP2
O6
N6
6se6 3 Q6FI13 95.12 6e-80 EM
 2019-08-14 HIS C:32 C:31 18.0 0.092 H -70.1 -41.2 18.0 0.092 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 9.191
7.126
6.294
8.832
9.488
6.510
4.630
9.117
 C
C
ND1
ND1
NE2
NE2
NE2
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
N4
HIS G:32 G:31 27.0 0.138 H -68.2 -42.1 27.0 0.138 0.0 DC
DT
DA
DG
DG
DG
DA
 9.463
6.528
4.458
9.037
9.356
7.200
6.140
 NE2
NE2
NE2
CE1
C
C
ND1
 O3'
C3'
OP2
N7
O3'
OP2
OP2
6see 3 Q6FI13 95.12 6e-80 EM
 2019-08-14 HIS C:32 C:31 56.0 0.287 H -65.3 -41.6 56.0 0.287 0.0 DC
DT
DA
DG
DG
DG
DA
 9.627
6.577
4.359
8.897
8.957
6.785
6.203
 CE1
NE2
NE2
CE1
C
C
ND1
 O3'
O3'
OP2
N7
O3'
OP2
OP2
HIS G:32 G:31 47.0 0.241 H -67.1 -43.4 47.0 0.241 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.844
6.810
6.082
8.873
9.472
6.686
4.730
8.513
9.492
 C
N
CB
CE1
NE2
NE2
CE1
CE1
CE1
 O3'
OP1
OP2
C7
O3'
C3'
OP2
N4
N4
6sef 3 Q6FI13 95.12 6e-80 EM
 2019-08-14 HIS C:32 C:31 48.0 0.246 H -66.6 -44.8 48.0 0.246 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 8.742
6.656
6.202
8.788
9.673
6.704
4.894
9.032
 C
C
ND1
ND1
NE2
NE2
NE2
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
N4
HIS G:32 G:31 33.0 0.169 H -64.0 -46.3 33.0 0.169 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.677
6.791
4.726
9.095
9.890
8.945
6.806
6.053
 NE2
NE2
NE2
CE1
CE1
C
C
ND1
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
6seg 3 Q6FI13 95.12 6e-80 EM
 2019-08-14 HIS C:32 C:31 17.0 0.087 H -66.6 -35.6 17.0 0.087 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 8.851
6.776
6.485
8.668
8.968
5.821
4.060
8.693
 C
C
CB
ND1
CE1
NE2
NE2
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
N4
HIS G:32 G:31 20.0 0.103 H -70.2 -42.0 20.0 0.103 0.0 DC
DT
DA
DG
DG
DG
DA
 9.125
6.069
4.277
9.298
8.798
6.762
6.022
 NE2
NE2
NE2
CE1
C
C
ND1
 O3'
C3'
OP2
N7
O3'
OP2
OP2
6y5d 3 Q6FI13 95.12 6e-80 EM
 2020-09-23 HIS C:32 C:32 17.0 0.087 H -58.8 -45.3 17.0 0.087 0.0 DA
DA
DT
DT
DC
DG
DA
DC
PTD
 9.910
7.767
6.434
8.633
8.779
5.936
4.781
9.289
9.512
 C
C
CB
ND1
NE2
NE2
NE2
CE1
O
 O3'
OP2
OP2
C7
O3'
C3'
OP2
N4
C1
HIS G:32 G:32 37.0 0.19 H -51.3 -44.0 37.0 0.19 0.0 DC
DT
DA
DG
DT
DG
DA
 8.262
5.585
3.798
8.581
9.896
8.346
6.961
 CE1
CE1
NE2
NE2
NE2
N
CB
 O3'
O3'
OP2
N7
O4
OP1
OP2
HIS O:32 O:32 22.0 0.113 H -59.1 -45.4 22.0 0.113 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 9.871
7.724
6.511
8.876
9.393
6.308
4.905
9.464
 C
C
ND1
ND1
NE2
NE2
NE2
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
N4
HIS S:32 S:32 18.0 0.092 H -59.0 -45.7 18.0 0.092 0.0 DC
DT
DA
DG
DG
DA
PTD
 8.996
6.014
4.838
9.951
8.198
7.272
9.932
 CE1
NE2
NE2
CE1
C
ND1
O
 O3'
O3'
OP2
N7
OP2
OP2
C1
6c0w 3 Q93077 95.93 6e-80 EM
 2018-01-17 HIS C:32 C:31 49.0 0.251 H -66.6 -35.5 49.0 0.251 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 9.547
7.490
6.968
8.985
9.868
6.329
4.366
8.949
9.559
 C
C
ND1
ND1
CE1
NE2
NE2
CE1
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
N4
N4
HIS G:32 G:31 38.0 0.195 H -68.0 -33.5 38.0 0.195 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.720
6.469
4.948
8.071
9.667
9.048
7.032
6.503
 NE2
NE2
NE2
CE1
CE1
C
C
CB
 O3'
C3'
OP2
OP2
C7
O3'
OP1
OP2
6upk 3 Q93077 95.93 6e-80 EM
 2019-12-11 HIS C:32 C:31 40.0 0.205 H -71.3 -27.3 40.0 0.205 0.0 DC
DG
DA
 8.782
5.634
4.335
 CE1
CE1
CE1
 O3'
C3'
OP2
6upl 3 Q93077 95.93 6e-80 EM
 2019-12-11 HIS C:32 C:31 61.0 0.313 H -69.7 -37.3 61.0 0.313 0.0 DT
DC
DG
DA
 7.464
7.874
3.731
1.663
 NE2
CE1
CE1
NE2
 O4
O3'
C3'
OP2
HIS G:32 K:31 27.0 0.138 H -72.6 -30.5 27.0 0.138 0.0 DC
DT
DA
 8.269
5.648
3.625
 NE2
CE1
CE1
 O3'
C3'
OP2
6kvd 4 Q9BTM1 95.12 8e-80 X-RAY
 2019-12-18 HIS E:35 C:31 30.0 0.154 H -56.4 -46.9 30.0 0.154 0.0 DA
DA
DA
DA
DT
DA
DC
CL
HOH
 8.994
6.973
6.404
9.673
6.388
4.384
8.472
9.004
4.027
 C
C
CB
CE1
NE2
NE2
CE1
CE1
CB
 O3'
OP2
OP2
O3'
C3'
OP2
C5
CL
O
HIS I:35 G:31 12.0 0.062 H -55.8 -44.9 12.0 0.062 0.0 DA
DA
DT
DA
DA
DG
DT
CL
HOH
 9.346
6.860
5.335
8.978
6.863
6.470
9.116
8.101
3.667
 CE1
NE2
NE2
C
C
CB
ND1
NE2
CG
 O3'
O3'
OP2
O3'
OP2
OP2
C7
CL
O
6r0c 3 P0C0S8 95.12 1e-79 EM
 2019-09-25 HIS C:32 C:31 22.0 0.113 H -68.5 -41.9 22.0 0.113 0.0 DA
DC
DT
DG
DT
DA
DG
 9.652
7.372
6.865
9.731
7.177
4.914
9.464
 N
N
CB
CE1
NE2
NE2
NE2
 O3'
OP1
OP2
O3'
O3'
OP2
N7
HIS G:32 G:31 46.0 0.236 H -68.9 -34.8 46.0 0.236 0.0 DC
DC
DT
DA
DA
DA
DT
 9.969
6.595
4.454
8.411
9.339
7.114
7.157
 CE1
CE1
NE2
NE2
N
C
CB
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
6rny 3 P0C0S8 95.12 1e-79 EM
 2019-09-25 HIS C:32 C:31 17.0 0.087 G -79.4 -9.6 17.0 0.087 0.0 DC
DA
DA
DG
DT
DT
 7.684
5.201
6.437
8.382
7.514
9.618
 C
C
ND1
CE1
CE1
CE1
 O3'
OP2
OP2
O3'
OP2
C7
HIS G:32 G:31 16.0 0.082 G -79.4 -9.6 16.0 0.082 0.0 DC
DC
DT
DA
DA
DA
DT
 8.307
5.567
4.059
9.033
8.995
7.049
7.181
 CE1
NE2
NE2
CE1
C
N
CB
 O3'
C3'
OP1
N7
O3'
OP2
OP2
4kgc 3 Q6AZJ8 89.15 2e-79 X-RAY
 2014-03-26 HIS C:32 C:31 12.0 0.062 H -56.4 -44.8 12.0 0.062 0.0 DA
DA
DA
DA
DT
DA
SO4
 8.661
6.191
6.618
9.324
6.772
5.162
8.238
 C
C
CB
NE2
CE1
CE1
NE2
 O3'
OP2
OP2
O3'
O3'
OP2
O1
HIS G:32 G:31 17.0 0.087 H -58.0 -50.4 17.0 0.087 0.0 DA
DT
DA
DC
DA
DA
DA
HRU
SO4
 9.313
6.359
4.567
9.314
8.755
6.280
6.396
9.921
8.189
 NE2
CE1
CE1
CE1
C
C
CB
O
NE2
 O3'
O3'
OP2
C5
O3'
OP2
OP2
C3B
O2
4ld9 3 Q6AZJ8 89.15 2e-79 X-RAY
 2013-08-14 HIS C:32 C:31 47.0 0.241 H -71.9 -47.5 47.0 0.241 0.0 DG
DG
DA
DG
DA
DC
DC
DT
DA
DG
 9.238
6.970
6.178
9.145
9.335
9.611
8.869
6.342
4.693
8.653
 N
N
CB
CD2
CD2
NE2
NE2
CE1
CE1
NE2
 O3'
OP1
OP2
O6
N6
N4
O3'
C3'
OP2
N7
HIS G:32 G:31 34.0 0.174 H -90.4 -43.2 34.0 0.174 0.0 DC
DG
DA
DC
DC
DA
DA
DT
DT
 9.016
6.114
4.616
9.136
9.994
9.447
7.437
6.986
9.208
 CE1
NE2
NE2
CE1
ND1
N
N
CB
ND1
 O3'
C3'
OP2
N4
N4
O3'
OP2
OP2
C7
4zux 3 P06897 89.15 2e-79 X-RAY
 2016-02-24 HIS C:32 C:31 22.0 0.113 H -68.3 -32.5 22.0 0.113 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.916
6.469
7.446
9.242
9.007
6.062
4.053
8.352
9.821
 C
N
CB
CD2
CE1
NE2
NE2
NE2
CD2
 O3'
OP1
OP2
C7
O3'
C3'
OP2
C5
N4
HIS G:32 G:31 32.0 0.164 H -82.0 -46.6 32.0 0.164 0.0 DT
DA
DG
DT
DG
DG
DA
DG
DA
 7.047
5.222
9.534
9.949
8.134
5.919
5.572
9.117
9.847
 NE2
NE2
CE1
CE1
C
N
ND1
CE1
CE1
 O3'
OP2
N7
C7
O3'
OP1
OP2
O6
N6
HIS M:32 M:31 18.0 0.092 H -68.5 -32.7 NA NA NA
HIS Q:32 Q:31 32.0 0.164 H -68.3 -32.2 NA NA NA
5e5a 4 Q6AZJ8 89.15 2e-79 X-RAY
 2016-02-03 HIS E:32 C:31 16.0 0.082 H -59.8 -47.0 16.0 0.082 0.0 DA
DA
DA
DA
DT
DA
DC
HOH
 9.007
6.734
6.577
9.476
6.910
5.182
9.047
4.227
 C
C
ND1
CE1
NE2
NE2
CE1
CG
 O3'
OP2
OP2
O3'
C3'
OP2
N4
O
HIS I:32 G:31 18.0 0.092 H -60.9 -46.1 18.0 0.092 0.0 DA
DA
DT
DA
DA
DA
DG
DT
HOH
 9.286
6.863
4.921
9.739
8.802
6.624
6.616
9.034
6.839
 CE1
NE2
NE2
NE2
C
C
ND1
ND1
N
 O3'
O3'
OP2
OP2
O3'
OP2
OP2
C7
O
5o9g 3 Q6AZJ8 89.15 2e-79 EM
 2017-10-11 HIS C:32 C:31 19.0 0.097 H -67.1 -40.9 19.0 0.097 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 8.596
6.152
6.538
9.534
9.901
7.224
4.945
9.276
 C
C
CB
CD2
CE1
NE2
NE2
NE2
 O3'
OP1
OP2
C7
O3'
C3'
OP2
OP2
HIS G:32 G:31 22.0 0.113 H -64.6 -43.8 22.0 0.113 0.0 DC
DT
DA
DG
DG
DG
DA
 9.460
6.782
4.431
9.547
8.020
5.748
5.735
 CE1
NE2
NE2
CE1
C
C
ND1
 O3'
O3'
OP2
N7
O3'
OP1
OP2
5oxv 3 Q6AZJ8 89.15 2e-79 X-RAY
 2017-10-11 HIS C:32 Q:31 25.0 0.128 H -83.4 -47.6 25.0 0.128 0.0 DG
DG
DA
DG
DA
DC
DT
DA
DG
DT
 8.858
6.732
6.161
9.609
9.920
9.513
6.472
4.662
8.862
9.581
 C
N
CD2
CD2
NE2
CE1
CE1
NE2
NE2
NE2
 O3'
OP1
OP2
O6
N6
O3'
O3'
OP2
N7
O4
HIS G:32 M:31 19.0 0.097 H -67.3 -31.5 19.0 0.097 0.0 DC
DG
DA
DC
DC
DA
DA
DT
DT
 9.005
6.147
4.370
8.487
9.872
8.950
6.617
6.882
8.399
 CE1
CE1
NE2
NE2
CD2
C
N
CB
CD2
 O3'
O3'
OP2
N4
N4
O3'
OP1
OP2
C7
HIS L:32 G:31 25.0 0.128 H -83.3 -47.7 25.0 0.128 0.0 DG
DG
DA
DG
DA
DC
DT
DA
DG
DT
 8.859
6.730
6.165
9.611
9.919
9.513
6.472
4.664
8.863
9.582
 C
N
CD2
CD2
NE2
CE1
CE1
NE2
NE2
NE2
 O3'
OP1
OP2
O6
N6
O3'
O3'
OP2
N7
O4
HIS P:32 C:31 20.0 0.103 H -67.4 -31.5 20.0 0.103 0.0 DC
DG
DA
DC
DC
DA
DA
DT
DT
 9.004
6.146
4.370
8.487
9.872
8.950
6.617
6.882
8.400
 CE1
CE1
NE2
NE2
CD2
C
N
CB
CD2
 O3'
O3'
OP2
N4
N4
O3'
OP1
OP2
C7
5oy7 4 Q6AZJ8 89.15 2e-79 X-RAY
 2017-09-20 HIS D:32 O:31 26.0 0.133 H -83.5 -47.4 26.0 0.133 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
CL
 9.513
6.471
4.663
8.863
9.581
8.858
6.731
6.165
9.610
9.919
8.188
 CE1
CE1
NE2
NE2
NE2
C
N
CD2
CD2
NE2
CE1
 O3'
O3'
OP2
N7
O4
O3'
OP1
OP2
O6
N6
CL
HIS L:32 C:31 19.0 0.097 H -67.3 -31.4 19.0 0.097 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
CL
 8.951
6.618
6.882
8.399
9.004
6.147
4.371
8.487
9.873
7.822
 C
N
CB
CD2
CE1
CE1
NE2
NE2
CD2
CE1
 O3'
OP1
OP2
C7
O3'
O3'
OP2
N4
N4
CL
HIS P:32 G:31 24.0 0.123 H -83.4 -47.6 24.0 0.123 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
CL
 9.511
6.471
4.664
8.862
9.580
8.858
6.732
6.163
9.611
9.918
8.188
 CE1
CE1
NE2
NE2
NE2
C
N
CD2
CD2
NE2
CE1
 O3'
O3'
OP2
N7
O4
O3'
OP1
OP2
O6
N6
CL
HIS R:32 K:31 21.0 0.108 H -67.3 -31.5 21.0 0.108 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
CL
 8.949
6.619
6.881
8.399
9.005
6.148
4.369
8.487
9.872
7.822
 C
N
CB
CD2
CE1
CE1
NE2
NE2
CD2
CE1
 O3'
OP1
OP2
C7
O3'
O3'
OP2
N4
N4
CL
HIS S:32 S:31 19.0 0.097 H -67.4 -31.3 19.0 0.097 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
CL
 8.950
6.617
6.882
8.397
9.005
6.146
4.370
8.486
9.871
7.821
 C
N
CB
CD2
CE1
CE1
NE2
NE2
CD2
CE1
 O3'
OP1
OP2
C7
O3'
O3'
OP2
N4
N4
CL
HIS W:32 W:31 25.0 0.128 H -83.3 -47.7 25.0 0.128 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
CL
 9.511
6.472
4.665
8.863
9.582
8.858
6.732
6.162
9.609
9.920
8.190
 CE1
CE1
NE2
NE2
NE2
C
N
CD2
CD2
NE2
CE1
 O3'
O3'
OP2
N7
O4
O3'
OP1
OP2
O6
N6
CL
HIS AA:32 a:31 20.0 0.103 H -67.4 -31.6 20.0 0.103 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
CL
 8.951
6.617
6.882
8.399
9.005
6.146
4.369
8.487
9.872
7.822
 C
N
CB
CD2
CE1
CE1
NE2
NE2
CD2
CE1
 O3'
OP1
OP2
C7
O3'
O3'
OP2
N4
N4
CL
HIS EA:32 e:31 25.0 0.128 H -83.4 -47.7 25.0 0.128 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
CL
 9.513
6.471
4.663
8.862
9.581
8.859
6.731
6.164
9.611
9.920
8.190
 CE1
CE1
NE2
NE2
NE2
C
N
CD2
CD2
NE2
CE1
 O3'
O3'
OP2
N7
O4
O3'
OP1
OP2
O6
N6
CL
5x0x 3 Q6AZJ8 89.15 2e-79 EM
 2017-04-19 HIS C:32 C:31 33.0 0.169 H -55.6 -22.9 33.0 0.169 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.330
5.713
3.972
8.641
9.464
9.116
7.057
6.435
 CE1
CE1
NE2
NE2
NE2
C
C
CD2
 O3'
O3'
OP2
N7
O4
O3'
OP1
OP2
HIS G:32 G:31 33.0 0.169 H -55.6 -22.9 33.0 0.169 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 9.640
7.230
6.141
8.858
9.864
9.583
6.289
4.491
8.372
9.077
 C
C
CB
CD2
NE2
CE1
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
C7
O6
O3'
C3'
OP2
C5
N4
6i84 2 P06897 89.15 2e-79 EM
 2019-01-02 HIS B:32 Q:31 74.0 0.379 H -71.8 -29.0 74.0 0.379 0.0 DA
DA
DT
DT
DG
DG
DC
DG
DA
DC
DC
 8.109
5.733
6.425
8.948
9.873
8.856
9.604
5.987
3.779
6.264
8.876
 C
C
CD2
CD2
CD2
NE2
CE1
NE2
NE2
NE2
NE2
 O3'
OP2
C7
C7
O6
O6
O3'
O3'
OP2
C5
N4
HIS C:32 V:31 40.0 0.205 H -65.6 -49.9 40.0 0.205 0.0 DT
DA
DG
DT
DG
DG
DA
DG
DA
 6.897
5.231
9.314
9.496
9.155
6.823
5.358
8.446
9.246
 CE1
CE1
NE2
NE2
CD2
CD2
CD2
NE2
NE2
 C3'
OP2
N7
O4
O3'
C2'
OP2
N7
N6
6j99 3 Q6AZJ8 89.15 2e-79 EM
 2019-02-27 HIS C:32 C:31 44.0 0.226 H -65.5 -38.5 44.0 0.226 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 8.845
6.806
7.482
9.232
9.971
9.741
6.172
4.813
7.861
9.244
 C
C
CB
CE1
CE1
NE2
NE2
NE2
CE1
CE1
 O3'
OP2
OP2
C7
O6
O3'
C3'
OP2
C5
N4
HIS G:32 G:31 56.0 0.287 H -66.6 -33.0 56.0 0.287 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
 9.456
5.893
4.324
7.875
9.258
8.851
6.783
7.027
9.421
 NE2
NE2
NE2
CE1
CE1
C
C
ND1
ND1
 O3'
C3'
OP1
N7
C7
O3'
OP2
OP2
N7
6kw3 3 Q6AZJ8 89.15 2e-79 EM
 2019-11-13 HIS C:32 O:31 37.0 0.19 H -69.2 -29.1 37.0 0.19 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 9.264
5.745
3.393
8.704
9.090
9.566
7.222
6.832
9.827
9.943
 CE1
CE1
NE2
NE2
NE2
C
C
CB
CD2
NE2
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
O6
N6
HIS F:32 S:31 37.0 0.19 H -69.6 -28.7 37.0 0.19 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 9.628
7.182
6.480
8.849
9.810
9.701
6.080
4.295
8.850
9.927
 C
C
CB
CD2
NE2
CE1
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
C7
O6
O3'
C3'
OP2
C5
N4
6kw4 3 Q6AZJ8 89.15 2e-79 EM
 2019-11-13 HIS C:32 O:31 22.0 0.113 H -64.8 -29.6 22.0 0.113 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
DC
 8.847
6.145
3.859
8.325
8.909
9.262
7.050
6.010
8.772
8.771
9.929
 NE2
NE2
NE2
NE2
NE2
N
N
CB
CD2
NE2
NE2
 O3'
O3'
OP2
O6
O4
O3'
O5'
OP2
N7
N6
N4
HIS F:32 S:31 21.0 0.108 H -64.8 -29.7 21.0 0.108 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 9.199
6.767
6.346
6.972
8.817
9.758
6.349
4.139
7.909
9.131
 C
C
CB
CD2
NE2
NE2
NE2
NE2
NE2
NE2
 O3'
OP2
OP2
C7
O6
O3'
O3'
OP2
N4
N4
6kw5 17 Q6AZJ8 89.15 2e-79 EM
 2020-09-09 HIS S:32 T:31 49.0 0.251 H -67.2 -43.3 49.0 0.251 0.0 DC
DT
DA
DG
DG
DA
 8.330
5.384
3.313
8.689
9.047
7.830
 CE1
CE1
NE2
NE2
C
CB
 O3'
C3'
OP2
N7
OP2
OP2
HIS U:32 O:31 25.0 0.128 H -70.0 -40.7 25.0 0.128 0.0 DA
DA
DT
DT
DG
DG
DA
DC
DC
 7.321
5.378
6.273
8.658
9.271
8.261
6.171
8.721
8.269
 CB
CB
CB
CE1
CE1
NE2
NE2
CE1
CE1
 O3'
O5'
OP2
C7
O6
C3'
OP2
C5
N4
6n1z 2 Q6AZJ8 89.15 2e-79 X-RAY
 2019-03-20 HIS B:32 B:32 16.0 0.082 H -60.6 -45.4 16.0 0.082 0.0
HIS E:32 E:32 21.0 0.108 H -63.1 -44.1 NA NA NA
6o96 3 Q6AZJ8 89.15 2e-79 EM
 2019-04-24 HIS C:32 C:31 25.0 0.128 H -69.5 -37.4 25.0 0.128 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 9.450
6.257
4.198
8.661
9.245
8.809
6.743
5.874
9.544
9.712
 NE2
NE2
NE2
CE1
CE1
C
C
ND1
ND1
CE1
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
N7
N6
HIS G:32 G:31 22.0 0.113 H -68.8 -38.1 22.0 0.113 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 9.001
6.866
6.140
8.569
9.271
6.153
4.235
8.285
9.326
 C
C
CB
CE1
NE2
NE2
NE2
CE1
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
N4
6om3 3 Q6AZJ8 89.15 2e-79 X-RAY
 2019-07-10 HIS C:32 C:31 28.0 0.144 H -63.3 -42.7 28.0 0.144 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DA
 9.279
5.912
4.011
8.493
9.413
8.932
6.861
5.919
9.959
 NE2
NE2
NE2
CE1
CE1
C
C
ND1
CE1
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
N6
HIS G:32 G:31 22.0 0.113 H -60.1 -44.1 22.0 0.113 0.0 DA
DA
DT
DT
DG
DG
DC
DG
DA
DC
DC
 9.026
6.764
6.084
8.438
9.697
9.929
8.872
5.919
4.142
7.990
9.141
 C
C
CB
CD2
NE2
NE2
CE1
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
C7
O6
O6
O3'
C3'
OP2
N4
N4
HIS O:32 O:31 28.0 0.144 H -61.4 -43.0 NA NA NA
HIS S:32 S:31 29.0 0.149 H -58.8 -45.3 NA NA NA
6ryr 3 P06897 89.15 2e-79 EM
 2020-07-15 HIS C:32 C:31 32.0 0.164 H -61.9 -45.8 32.0 0.164 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 9.024
6.738
6.518
9.808
9.285
7.128
5.631
8.795
 C
C
CB
NE2
CE1
CE1
NE2
NE2
 O3'
OP1
OP2
C7
O3'
C3'
OP2
C5
HIS G:32 G:31 27.0 0.138 H -62.5 -43.0 27.0 0.138 0.0 DC
DT
DA
DG
DG
DG
DA
 9.172
6.055
4.193
9.174
8.976
6.770
6.647
 CE1
NE2
NE2
NE2
C
C
CB
 O3'
O3'
OP2
N7
O3'
OP1
OP2
6ryu 3 P06897 89.15 2e-79 EM
 2020-07-15 HIS C:32 C:31 28.0 0.144 H -66.8 -31.3 28.0 0.144 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 9.071
6.739
6.463
8.765
9.836
9.677
6.253
4.347
8.566
9.141
 C
C
CB
NE2
NE2
CE1
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
C7
O6
O3'
C3'
OP2
C5
N4
HIS G:32 G:31 35.0 0.179 H -65.9 -33.8 35.0 0.179 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.377
6.304
4.317
8.696
9.549
9.150
7.042
6.289
 NE2
NE2
NE2
CE1
CE1
C
C
CB
 O3'
O3'
OP2
N7
C7
O3'
OP2
OP2
6vz4 3 Q6AZJ8 89.15 2e-79 EM
 2020-12-02 HIS C:32 C:32 26.0 0.133 H -57.9 -47.4 26.0 0.133 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.989
6.400
4.445
8.896
9.529
9.431
7.376
6.108
 NE2
NE2
NE2
CE1
CE1
C
C
ND1
 O3'
C3'
OP2
N7
O4
O3'
OP1
OP2
HIS G:32 G:32 34.0 0.174 H -57.6 -47.6 34.0 0.174 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 9.337
7.286
6.730
8.759
9.494
6.028
4.206
8.517
9.279
 C
C
CB
CD2
CE1
CE1
CE1
NE2
NE2
 O3'
OP1
OP2
C7
O3'
C3'
OP2
C5
N4
6zhx 3 P06897 89.15 2e-79 EM
 2020-12-23 HIS C:32 C:31 15.0 0.077 H -62.4 -44.1 15.0 0.077 0.0 DA
DA
DT
DT
DG
DG
DC
DG
DA
DC
DC
DA
 8.467
5.532
5.684
7.504
9.170
9.380
8.465
4.167
3.595
6.410
7.519
9.846
 HB3
HB3
HD2
HD2
HE2
HE2
HE1
HE1
HE1
HE2
HE2
HE2
 O3'
H3'
H72
H72
O6
O6
O3'
H3'
OP2
H5
H42
H61
HIS G:32 G:31 31.0 0.159 H -65.0 -43.8 31.0 0.159 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
DC
 8.659
4.509
3.676
7.574
7.554
8.334
5.337
5.233
9.481
8.281
9.125
 HE1
HE1
HE1
HE2
HE2
HB3
HB3
HD2
HE2
HE2
HE2
 H2''
H3'
OP2
N7
H73
O3'
H3'
OP2
O6
H62
H41
6zhy 3 P06897 89.15 2e-79 EM
 2020-12-23 HIS C:32 C:31 12.0 0.062 H -65.0 -41.3 12.0 0.062 0.0 DA
DA
DT
DT
DG
DG
DC
DG
DA
DC
DC
 8.506
5.702
6.039
8.041
9.545
9.882
8.555
4.213
3.211
6.586
7.761
 HB3
HB3
HD2
HD2
HE2
HE2
HE1
HE1
HE2
HE2
HE2
 O3'
H3'
H72
H72
O6
O6
O3'
H3'
OP2
H5
H42
7nkx 13 P06897 89.15 2e-79 EM
 2021-08-25 HIS M:32 c:31 53.0 0.272 H -65.4 -40.3 53.0 0.272 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 8.931
6.414
8.092
9.377
9.960
7.020
4.833
8.665
 C
C
ND1
CE1
CE1
NE2
NE2
NE2
 O3'
OP1
C7
C7
O3'
O3'
OP2
OP2
HIS Q:32 g:31 20.0 0.103 H -59.4 -42.4 20.0 0.103 0.0
7nky 22 P06897 89.15 2e-79 EM
 2021-07-07 HIS V:32 c:31 29.0 0.149 H -62.5 -49.3 29.0 0.149 0.0 DC
DG
DA
DC
DC
DA
DA
DT
DT
DG
DG
 8.432
5.512
3.843
7.166
8.790
9.157
7.099
6.256
8.121
9.457
9.219
 CE1
CE1
NE2
NE2
NE2
C
C
CB
CD2
NE2
NE2
 O3'
C3'
OP2
N4
N4
O3'
OP2
OP2
C7
O6
O6
HIS Z:32 g:31 43.0 0.221 H -58.0 -45.3 43.0 0.221 0.0
7otq 4 P06897 89.15 2e-79 EM
 2021-09-15 HIS D:32 C:31 49.0 0.251 H -57.4 -47.6 49.0 0.251 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
DA
 7.252
5.237
6.175
7.932
9.054
9.508
5.292
3.816
6.626
7.256
9.150
 HD2
HD2
HD2
HE2
HE2
HE1
HE1
HE1
HE2
HE2
HE2
 O3'
OP2
H72
H73
O6
H2''
H3'
OP2
H5
H42
H61
HIS H:32 G:31 33.0 0.169 H -58.6 -45.6 33.0 0.169 0.0 DC
DT
DA
DG
DT
DC
DG
DG
DA
DG
DA
DC
 9.626
5.492
3.970
7.155
7.718
8.943
7.791
5.747
5.513
8.433
7.466
8.600
 HE2
HE2
HE2
HE1
HE1
HE1
HB3
HB3
HB3
HE1
HE1
HE1
 H2''
H3'
OP2
N7
O4
H42
O3'
H3'
OP2
O6
H62
H41
2hio 1 P02263 95.9 2e-79 X-RAY
 2000-01-12 HIS A:31 A:31 19.0 0.097 H -65.8 -40.1 19.0 0.097 0.0
3c9k 1 P02263 95.9 2e-79 EM
 2009-01-06 HIS A:31 A:31 16.0 0.082 H -65.8 -40.1 16.0 0.082 0.0
HIS E:31 E:31 16.0 0.082 H -65.8 -40.1 16.0 0.082 0.0
7cow 5 P04908 94.31 3e-79 X-RAY
 2021-08-11 HIS E:34 C:31 24.0 0.123 H -47.9 -40.3 24.0 0.123 0.0 DC
DT
DA
DG
DG
DG
DA
DG
DA
CL
 8.955
5.631
4.044
8.177
9.064
6.695
6.547
9.790
9.557
7.757
 NE2
NE2
CE1
CE1
C
C
ND1
ND1
CE1
NE2
 O3'
O3'
OP2
N7
O3'
OP2
OP2
N7
N6
CL
HIS I:34 G:31 26.0 0.133 H -45.7 -34.7 26.0 0.133 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
CL
 9.170
6.807
6.230
8.499
9.555
9.420
5.954
4.154
7.740
9.093
8.645
 C
C
ND1
ND1
CE1
NE2
NE2
NE2
CE1
CE1
NE2
 O3'
OP2
OP2
C7
O6
O3'
C3'
OP2
N4
N4
CL
HIS M:34 M:31 22.0 0.113 H -57.3 -47.4 22.0 0.113 0.0 DA
DA
DT
DT
DG
DG
DC
DG
DA
DC
DC
CL
 8.889
6.692
6.182
8.757
9.774
9.901
9.000
5.931
4.255
8.154
9.338
8.084
 C
C
CB
ND1
CE1
CE1
NE2
NE2
CE1
CE1
CE1
NE2
 O3'
OP2
OP2
C7
O6
O6
O3'
C3'
OP2
N4
N4
CL
HIS Q:34 Q:31 19.0 0.097 H -50.0 -42.8 19.0 0.097 0.0 DC
DT
DA
DG
DT
DG
DG
DA
CL
 9.140
6.011
4.344
8.843
9.610
9.453
7.132
6.690
7.782
 NE2
NE2
CE1
CE1
CE1
C
C
ND1
NE2
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
CL
5kgf 3 P0C0S8 94.31 4e-79 EM
 2016-07-27 HIS C:32 C:31 32.0 0.164 H -52.0 -28.1 32.0 0.164 0.0 DA
DA
DT
DT
DG
DG
DC
DG
DA
DC
DC
 9.014
6.713
6.774
8.309
9.603
9.667
9.153
6.197
4.432
7.981
9.116
 C
N
ND1
CE1
CE1
CE1
NE2
NE2
NE2
CE1
CE1
 O3'
OP1
OP2
C7
O6
O6
O3'
C3'
OP2
C5
N4
HIS G:32 G:31 17.0 0.087 H -52.1 -27.9 17.0 0.087 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 9.831
6.936
5.142
8.712
8.929
8.361
6.328
5.482
8.942
9.224
 NE2
NE2
NE2
CE1
CE1
C
C
ND1
CE1
CE1
 O3'
C2'
OP2
N7
O4
O3'
OP2
OP2
O6
N6
3a6n 3 P04908 94.31 4e-79 X-RAY
 2010-05-26 HIS C:35 C:31 23.0 0.118 H -61.1 -49.6 23.0 0.118 0.0 DA
DA
DA
DA
DT
DA
DC
CL
HOH
 8.531
6.105
6.681
9.457
6.761
4.805
9.356
8.483
6.735
 C
C
CB
CE1
CE1
NE2
NE2
CE1
N
 O3'
OP2
OP2
O3'
O3'
OP2
C5
CL
O
HIS G:35 G:31 17.0 0.087 H -70.0 -46.6 17.0 0.087 0.0 DA
DA
DT
DA
DA
DA
DG
DT
CL
HOH
 9.109
6.566
4.850
9.886
8.602
6.313
6.566
9.473
8.140
6.919
 NE2
CE1
CE1
CE1
C
C
CB
CD2
NE2
N
 O3'
O3'
OP2
OP2
O3'
OP2
OP2
C7
CL
O
3afa 3 P04908 94.31 4e-79 X-RAY
 2010-05-26 HIS C:35 C:31 27.0 0.138 H -68.0 -38.3 27.0 0.138 0.0 DA
DA
DA
DA
DT
DA
DC
CL
HOH
 8.686
6.213
6.664
9.582
6.595
4.818
9.312
8.291
8.812
 C
C
CD2
CE1
CE1
NE2
NE2
CE1
N
 O3'
OP2
OP2
O3'
O3'
OP2
C5
CL
O
HIS G:35 G:31 22.0 0.113 H -70.8 -48.3 22.0 0.113 0.0 DA
DA
DT
DA
DA
DA
DG
DT
CL
 9.241
6.516
4.834
9.694
8.588
6.318
6.701
9.839
8.135
 NE2
NE2
CE1
CE1
C
C
CB
CD2
NE2
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
C7
CL
3an2 3 P04908 94.31 4e-79 X-RAY
 2011-07-20 HIS C:35 C:31 28.0 0.144 H -40.7 -58.6 28.0 0.144 0.0 DT
DT
DT
DC
DA
DG
DC
DA
 9.255
6.885
6.414
9.152
9.852
6.167
4.335
9.370
 C
CB
ND1
CE1
CE1
NE2
NE2
NE2
 O3'
C5'
OP2
N4
O3'
C3'
OP2
N7
HIS G:35 G:31 23.0 0.118 H -40.1 -61.0 23.0 0.118 0.0 DA
DG
DC
DA
DT
DT
DT
 9.308
5.994
4.479
9.490
9.265
6.883
6.123
 NE2
CE1
CE1
CE1
C
N
CB
 O3'
C3'
OP2
OP2
O3'
OP1
OP2
3av1 3 P04908 94.31 4e-79 X-RAY
 2011-06-01 HIS C:35 C:31 25.0 0.128 H -64.3 -42.7 25.0 0.128 0.0 DA
DA
DA
DA
DT
DA
DC
HOH
 8.864
6.493
6.830
9.526
6.825
4.998
9.336
6.753
 C
C
CD2
CE1
CE1
NE2
NE2
N
 O3'
OP2
OP2
O3'
O3'
OP2
C5
O
HIS G:35 G:31 23.0 0.118 H -66.7 -47.4 23.0 0.118 0.0 DA
DA
DT
DA
DA
DA
DG
DT
 9.298
6.605
4.797
9.616
8.594
6.357
6.661
9.609
 NE2
NE2
CE1
CE1
C
C
CB
NE2
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
C7
3av2 3 P04908 94.31 4e-79 X-RAY
 2011-06-01 HIS C:35 C:31 26.0 0.133 H -80.7 -29.9 26.0 0.133 0.0 DA
DA
DA
DA
DT
DA
DC
HOH
 8.736
6.288
6.714
9.563
6.731
4.825
9.254
6.603
 C
C
CB
CE1
CE1
NE2
NE2
N
 O3'
OP2
OP2
O3'
O3'
OP2
C5
O
HIS G:35 G:31 24.0 0.123 H -74.8 -53.0 24.0 0.123 0.0 DA
DA
DT
DA
DA
DA
DG
DT
HOH
 9.363
6.857
5.070
9.615
8.612
6.344
6.741
9.835
8.690
 NE2
NE2
CE1
CE1
C
C
CB
CD2
N
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
C7
O
3ayw 3 P04908 94.31 4e-79 X-RAY
 2011-09-21 HIS C:35 C:31 17.0 0.087 H -55.4 -35.3 17.0 0.087 0.0 DA
DA
DA
DA
DT
DA
DC
CL
 8.801
6.318
6.675
9.462
6.728
4.940
9.955
8.764
 C
C
CB
NE2
CE1
CE1
CE1
NE2
 O3'
OP2
OP2
O3'
O3'
OP2
OP2
CL
HIS G:35 G:31 25.0 0.128 H -66.1 -43.0 25.0 0.128 0.0 DA
DA
DT
DA
DA
DA
DG
DT
CL
 9.555
6.650
4.870
9.789
8.670
6.237
6.417
9.233
8.391
 NE2
CE1
CE1
CE1
C
C
CB
NE2
NE2
 O3'
O3'
OP2
N7
O3'
OP2
OP2
C7
CL
3aze 3 P04908 94.31 4e-79 X-RAY
 2011-09-21 HIS C:35 C:31 24.0 0.123 H -60.2 -42.8 24.0 0.123 0.0 DA
DA
DA
DT
DA
DC
CL
 9.402
7.098
6.707
6.250
4.738
8.881
9.412
 C
C
CD2
NE2
CE1
NE2
CE1
 O3'
OP2
OP2
C3'
OP2
C5
CL
HIS G:35 G:31 28.0 0.144 H -67.3 -37.9 28.0 0.144 0.0 DA
DA
DT
DA
DA
DA
DG
CL
 9.323
6.602
4.758
9.263
9.006
6.677
6.610
8.412
 NE2
NE2
CE1
CE1
C
C
CB
NE2
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
CL
3azf 3 P04908 94.31 4e-79 X-RAY
 2011-09-21 HIS C:35 C:31 22.0 0.113 H -66.0 -44.8 22.0 0.113 0.0 DA
DA
DA
DA
DT
DA
DC
CL
HOH
 8.823
6.595
6.751
9.788
6.437
4.748
9.749
8.561
6.738
 C
N
CB
NE2
NE2
CE1
CE1
NE2
N
 O3'
OP1
OP2
O3'
C3'
OP2
OP2
CL
O
HIS G:35 G:31 21.0 0.108 H -68.2 -51.6 21.0 0.108 0.0 DA
DA
DT
DA
DA
DG
DT
CL
HOH
 9.561
6.196
4.793
8.710
6.318
6.617
9.537
8.081
6.957
 NE2
CE1
CE1
C
C
CB
CD2
NE2
N
 O3'
O3'
OP2
O3'
OP2
OP2
C7
CL
O
3azg 3 P04908 94.31 4e-79 X-RAY
 2011-09-21 HIS C:35 C:31 22.0 0.113 H -64.1 -45.4 22.0 0.113 0.0 DA
DA
DA
DA
DT
DA
DC
CL
HOH
 8.536
6.066
6.773
9.352
6.654
5.101
9.637
8.491
8.976
 C
C
CB
NE2
CE1
CE1
NE2
NE2
N
 O3'
OP2
OP2
O3'
O3'
OP2
C5
CL
O
HIS G:35 G:31 23.0 0.118 H -64.9 -50.0 23.0 0.118 0.0 DA
DA
DT
DA
DA
DA
DG
DT
CL
 9.268
6.659
4.781
9.361
8.756
6.444
6.642
9.704
8.301
 NE2
NE2
CE1
CE1
C
C
CB
CD2
NE2
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
C7
CL
3azh 3 P04908 94.31 4e-79 X-RAY
 2011-09-21 HIS C:35 C:31 26.0 0.133 H -54.9 -51.3 26.0 0.133 0.0 DA
DA
DA
DA
DT
DA
DC
CL
 8.800
6.572
6.711
9.398
6.581
4.931
9.160
8.243
 C
C
CB
NE2
NE2
CE1
CE1
CD2
 O3'
OP2
OP2
O3'
O3'
OP2
C5
CL
HIS G:35 G:31 24.0 0.123 H -51.1 -59.8 24.0 0.123 0.0 DA
DA
DT
DA
DA
DG
DT
CL
 9.617
6.751
4.487
8.757
6.376
6.804
9.691
8.589
 NE2
CE1
CE1
C
C
CB
CD2
NE2
 O3'
O3'
OP2
O3'
OP2
OP2
C7
CL
3azi 3 P04908 94.31 4e-79 X-RAY
 2011-09-21 HIS C:35 C:31 18.0 0.092 H -71.1 -48.7 18.0 0.092 0.0 DA
DA
DA
DA
DT
DA
DC
CL
 8.887
6.632
7.026
9.938
6.630
4.687
9.213
8.109
 C
C
CB
CE1
CE1
NE2
NE2
CE1
 O3'
OP2
OP2
O3'
O3'
OP2
C5
CL
HIS G:35 G:31 24.0 0.123 H -55.5 -33.4 24.0 0.123 0.0 DA
DA
DT
DA
DA
DA
DG
DT
CL
 9.665
6.298
4.795
9.579
8.313
6.497
6.548
9.352
8.815
 CE1
NE2
NE2
NE2
C
C
ND1
ND1
NE2
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
C7
CL
3azj 3 P04908 94.31 4e-79 X-RAY
 2011-09-21 HIS C:35 C:31 27.0 0.138 H -63.7 -29.2 27.0 0.138 0.0 DA
DA
DA
DA
DT
DA
DC
CL
 8.866
6.410
6.542
9.802
6.262
4.818
9.293
8.652
 C
C
CD2
CE1
CE1
NE2
NE2
CE1
 O3'
OP2
OP2
O3'
C3'
OP2
C5
CL
HIS G:35 G:31 23.0 0.118 H -64.6 -45.4 23.0 0.118 0.0 DA
DA
DT
DA
DA
DA
DG
DT
CL
 9.433
6.762
4.977
9.464
8.637
6.311
6.888
9.589
8.280
 NE2
NE2
CE1
CE1
C
C
CB
CD2
NE2
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
C7
CL
3azk 3 P04908 94.31 4e-79 X-RAY
 2011-09-21 HIS C:35 C:31 22.0 0.113 H -57.3 -40.8 22.0 0.113 0.0 DA
DA
DA
DA
DT
DA
DC
CL
 8.521
6.063
6.623
9.749
6.581
4.861
9.137
8.692
 C
C
CB
CE1
CE1
NE2
NE2
CE1
 O3'
OP2
OP2
O3'
O3'
OP2
C5
CL
HIS G:35 G:31 12.0 0.062 H -54.8 -48.6 12.0 0.062 0.0 DA
DA
DT
DA
DA
DA
DG
DT
CL
 9.343
6.719
4.883
9.747
8.705
6.474
6.925
9.581
8.184
 NE2
CE1
CE1
CE1
C
C
CB
CD2
NE2
 O3'
O3'
OP2
OP2
O3'
OP2
OP2
C7
CL
3azl 3 P04908 94.31 4e-79 X-RAY
 2011-09-21 HIS C:35 C:31 26.0 0.133 H -69.9 -41.5 26.0 0.133 0.0 DA
DA
DA
DA
DT
DA
DC
CL
HOH
 8.557
6.103
6.660
9.525
6.804
4.812
9.442
8.404
3.095
 C
C
CB
CE1
CE1
NE2
NE2
CE1
NE2
 O3'
OP2
OP2
O3'
O3'
OP2
C5
CL
O
HIS G:35 G:31 23.0 0.118 H -66.4 -45.1 23.0 0.118 0.0 DA
DA
DT
DA
DA
DA
DG
DT
CL
 9.171
6.514
4.695
9.549
8.668
6.532
6.655
9.443
8.177
 NE2
NE2
CE1
CE1
C
C
CB
CD2
NE2
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
C7
CL
3azm 3 P04908 94.31 4e-79 X-RAY
 2011-09-21 HIS C:35 C:31 14.0 0.072 H -61.0 -44.4 14.0 0.072 0.0 DA
DA
DA
DA
DT
DA
DC
CL
 9.081
6.761
7.083
9.495
6.162
4.378
8.783
7.907
 C
C
CB
CE1
CE1
NE2
NE2
CE1
 O3'
OP2
OP2
O3'
O3'
OP2
C5
CL
HIS G:35 G:31 32.0 0.164 H -63.7 -32.9 32.0 0.164 0.0 DA
DA
DT
DA
DA
DA
DG
DT
CL
 9.486
6.446
4.517
9.137
8.981
6.560
6.497
8.728
8.145
 CE1
CE1
NE2
NE2
C
N
CB
CD2
CE1
 O3'
O3'
OP2
OP2
O3'
OP1
OP2
C7
CL
3azn 3 P04908 94.31 4e-79 X-RAY
 2011-09-21 HIS C:35 C:31 28.0 0.144 H -63.4 -41.8 28.0 0.144 0.0 DA
DA
DA
DA
DT
DA
DC
CL
 8.547
6.106
6.657
9.407
6.544
4.655
8.986
8.630
 C
C
CB
CE1
CE1
NE2
NE2
CE1
 O3'
OP2
OP2
O3'
C3'
OP2
C5
CL
HIS G:35 G:31 15.0 0.077 H -63.3 -49.6 15.0 0.077 0.0 DA
DA
DT
DA
DA
DA
DG
DT
CL
 9.288
6.484
4.796
9.745
8.811
6.622
6.765
9.381
8.161
 NE2
NE2
CE1
CE1
C
C
CB
CD2
NE2
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
C7
CL
3w97 3 P04908 94.31 4e-79 X-RAY
 2013-08-28 HIS C:35 C:31 13.0 0.067 H -62.4 -50.8 13.0 0.067 0.0 DA
DA
DA
DA
DT
DA
DC
 8.755
6.275
6.984
9.102
6.329
4.719
9.766
 C
C
CB
NE2
CE1
CE1
CE1
 O3'
OP2
OP2
O3'
O3'
OP2
C5
HIS G:35 G:31 47.0 0.241 H -54.0 -36.4 47.0 0.241 0.0 DA
DA
DT
DA
DA
DA
DG
DT
 9.504
6.303
4.452
8.846
9.300
7.131
6.499
8.914
 NE2
NE2
CE1
CE1
C
C
CB
ND1
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
C7
3w98 3 P04908 94.31 4e-79 X-RAY
 2013-08-28 HIS C:35 C:31 18.0 0.092 H -66.0 -46.0 18.0 0.092 0.0 DA
DA
DA
DA
DT
DA
DC
 8.782
6.305
7.004
9.400
6.543
4.762
9.163
 C
C
CB
NE2
NE2
CE1
CE1
 O3'
OP2
OP2
O3'
O3'
OP2
C5
HIS G:35 G:31 26.0 0.133 H -61.6 -38.7 26.0 0.133 0.0 DA
DA
DT
DA
DC
DA
DA
DG
DT
 9.448
6.472
4.710
9.179
9.937
8.658
6.715
6.762
9.113
 NE2
NE2
NE2
CE1
CE1
C
C
CB
CE1
 O3'
C3'
OP2
OP2
N4
O3'
OP1
OP2
C7
3w99 3 P04908 94.31 4e-79 X-RAY
 2013-08-28 HIS C:35 C:31 21.0 0.108 H -51.8 -51.8 21.0 0.108 0.0 DA
DA
DA
DA
DT
DA
DC
 9.108
6.697
6.735
9.437
6.381
4.614
9.277
 C
CB
CB
NE2
CE1
CE1
NE2
 O3'
C5'
OP2
O3'
O3'
OP2
C5
HIS G:35 G:31 45.0 0.231 H -49.1 -38.0 45.0 0.231 0.0 DA
DA
DT
DA
DA
DA
DG
DT
 9.451
6.134
4.342
9.305
8.897
6.901
6.494
9.123
 CE1
CE1
NE2
NE2
C
C
CB
CD2
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
C7
3wkj 3 P04908 94.31 4e-79 X-RAY
 2014-04-09 HIS C:35 C:31 27.0 0.138 H -64.6 -30.4 27.0 0.138 0.0 DA
DA
DA
DA
DT
DA
DC
CL
HOH
 8.562
6.149
6.592
9.578
6.597
4.887
9.191
8.269
6.575
 C
C
CD2
CE1
CE1
NE2
NE2
CE1
N
 O3'
OP2
OP2
O3'
O3'
OP2
C5
CL
O
HIS G:35 G:31 24.0 0.123 H -71.1 -40.7 24.0 0.123 0.0 DA
DA
DT
DA
DA
DA
DG
DT
CL
HOH
 9.135
6.202
4.453
9.288
8.534
6.364
6.779
9.617
8.302
6.738
 NE2
NE2
CE1
CE1
C
C
CB
NE2
NE2
N
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
C7
CL
O
3wtp 3 P04908 94.31 4e-79 X-RAY
 2014-12-03 HIS C:35 C:31 30.0 0.154 H -63.3 -46.6 30.0 0.154 0.0 DA
DA
DA
DA
DT
DA
DC
 8.934
6.597
6.366
9.964
6.509
4.405
7.939
 C
C
ND1
CE1
NE2
NE2
CE1
 O3'
OP2
OP2
O3'
O3'
OP2
C5
HIS G:35 G:31 30.0 0.154 H -66.4 -46.1 30.0 0.154 0.0 DA
DA
DT
DA
DA
DG
DT
 9.837
6.946
5.096
8.815
6.613
6.395
9.071
 CE1
NE2
NE2
C
N
ND1
ND1
 O3'
O3'
OP2
O3'
OP1
OP2
C7
4ym5 3 P04908 94.31 4e-79 X-RAY
 2015-12-02 HIS C:35 C:31 30.0 0.154 H -58.2 -47.9 30.0 0.154 0.0 DA
T64
DA
DT
DA
DC
 8.810
6.369
9.548
6.302
4.567
8.660
 C
CD2
CE1
CE1
NE2
NE2
 O3'
C5M
O3'
C3'
OP2
C5
HIS G:35 G:31 31.0 0.159 H -58.4 -47.7 31.0 0.159 0.0 DA
DT
DA
DC
DA
T64
DG
DT
 9.324
6.226
4.305
8.656
9.388
6.155
9.948
9.845
 CE1
CE1
NE2
NE2
C
CD2
CD2
NE2
 O3'
C3'
OP2
N4
O3'
C5M
N7
O4
4ym6 3 P04908 94.31 4e-79 X-RAY
 2015-12-02 HIS C:35 C:31 27.0 0.138 H -64.7 -45.9 27.0 0.138 0.0 DA
DA
DA
DA
DT
DA
DC
 9.303
6.967
6.478
9.299
6.003
4.167
8.357
 C
CB
CB
CE1
CE1
NE2
NE2
 O3'
C5'
OP2
O3'
O3'
OP2
C5
HIS G:35 G:31 26.0 0.133 H -63.6 -47.3 26.0 0.133 0.0 DA
DA
DT
DA
DC
DA
DA
DG
DT
 9.024
5.994
4.351
8.696
9.579
9.417
7.252
6.432
8.617
 CE1
CE1
NE2
NE2
NE2
C
N
CB
NE2
 O3'
C3'
OP2
N7
N4
O3'
OP1
OP2
C7
4z5t 3 P04908 94.31 4e-79 X-RAY
 2016-02-10 HIS C:35 C:31 15.0 0.077 H -62.6 -47.6 15.0 0.077 0.0 DA
DA
DA
DA
DT
DA
DC
 8.931
6.677
6.414
9.064
6.327
4.568
9.867
 C
C
ND1
CE1
NE2
NE2
CE1
 O3'
OP2
OP2
O3'
O3'
OP2
N4
HIS G:35 G:31 21.0 0.108 H -62.9 -46.3 21.0 0.108 0.0 DA
DA
DT
DA
DA
DA
DG
DT
 9.414
6.521
4.836
9.298
8.509
6.202
6.516
9.554
 CE1
NE2
NE2
NE2
C
C
CB
ND1
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
C7
5av5 3 P04908 94.31 4e-79 X-RAY
 2015-12-23 HIS C:35 C:31 21.0 0.108 H -65.2 -43.9 21.0 0.108 0.0 DA
DA
DG
DT
DA
DA
DT
HOH
 9.033
6.754
6.827
9.352
9.257
6.921
4.995
6.926
 N
C
ND1
ND1
CE1
NE2
NE2
O
 O3'
OP2
OP2
C7
O3'
O3'
OP2
O
HIS G:35 G:31 24.0 0.123 H -64.9 -48.9 24.0 0.123 0.0 DA
DA
DT
DA
DA
DA
DG
DT
HOH
 9.206
6.667
4.660
9.884
8.937
6.473
6.846
9.675
8.383
 CE1
NE2
NE2
NE2
C
C
CB
ND1
CE1
 O3'
O3'
OP2
OP2
O3'
OP2
OP2
C7
O
5av6 3 P04908 94.31 4e-79 X-RAY
 2015-12-23 HIS C:35 C:31 23.0 0.118 H -63.9 -42.4 23.0 0.118 0.0 DA
DA
DG
DT
DA
DA
DT
HOH
 9.167
6.838
6.974
9.628
9.021
6.801
4.982
6.826
 N
C
CB
ND1
CE1
NE2
NE2
O
 O3'
OP2
OP2
C7
O3'
O3'
OP2
O
HIS G:35 G:31 23.0 0.118 H -66.3 -47.7 23.0 0.118 0.0 DA
DA
DT
DA
DA
DA
DG
DT
HOH
 9.092
6.581
4.722
9.875
9.026
6.577
6.760
9.467
4.107
 CE1
NE2
NE2
NE2
N
C
CB
ND1
ND1
 O3'
O3'
OP2
OP2
O3'
OP2
OP2
C7
O
5av8 3 P04908 94.31 4e-79 X-RAY
 2015-12-23 HIS C:35 C:31 24.0 0.123 H -64.4 -41.4 24.0 0.123 0.0 DA
DA
DG
DT
DA
DA
DT
HOH
 9.187
6.830
6.997
9.513
9.209
6.813
5.028
6.912
 N
C
ND1
ND1
CE1
NE2
NE2
O
 O3'
OP2
OP2
C7
O3'
O3'
OP2
O
HIS G:35 G:31 24.0 0.123 H -60.7 -49.0 24.0 0.123 0.0 DA
DA
DT
DA
DA
DA
DG
DT
HOH
 9.082
6.512
4.633
9.815
9.109
6.647
6.795
9.458
3.869
 CE1
NE2
NE2
NE2
C
C
CB
CE1
ND1
 O3'
O3'
OP2
OP2
O3'
OP2
OP2
C7
O
5av9 3 P04908 94.31 4e-79 X-RAY
 2015-12-23 HIS C:35 C:31 24.0 0.123 H -63.9 -42.3 24.0 0.123 0.0 DA
DA
DG
DT
DA
DA
DT
HOH
 9.123
6.777
6.954
9.632
9.056
6.772
5.028
5.574
 N
C
CB
ND1
CE1
NE2
NE2
CE1
 O3'
OP2
OP2
C7
O3'
O3'
OP2
O
HIS G:35 G:31 23.0 0.118 H -64.9 -48.1 23.0 0.118 0.0 DA
DA
DT
DA
DA
DA
DG
DT
HOH
 9.049
6.542
4.718
9.998
9.106
6.697
6.787
9.463
4.135
 CE1
NE2
NE2
NE2
N
C
CB
ND1
ND1
 O3'
O3'
OP2
OP2
O3'
OP2
OP2
C7
O
5avb 3 P04908 94.31 4e-79 X-RAY
 2015-12-23 HIS C:35 C:31 24.0 0.123 H -63.9 -40.4 24.0 0.123 0.0 DA
DA
DG
DT
DA
DA
DT
DA
HOH
 9.064
6.695
6.947
9.389
9.134
6.767
4.936
9.978
6.957
 N
C
CB
ND1
CE1
NE2
NE2
NE2
O
 O3'
OP2
OP2
C7
O3'
O3'
OP2
OP2
O
HIS G:35 G:31 28.0 0.144 H -63.1 -46.6 28.0 0.144 0.0 DA
DA
DT
DA
DA
DA
DG
DT
HOH
 9.141
6.607
4.622
9.792
8.923
6.456
6.927
9.711
8.360
 CE1
NE2
NE2
NE2
C
C
CB
ND1
CE1
 O3'
O3'
OP2
OP2
O3'
OP2
OP2
C7
O
5avc 3 P04908 94.31 4e-79 X-RAY
 2015-12-23 HIS C:35 C:31 23.0 0.118 H -63.3 -40.8 23.0 0.118 0.0 DA
DA
DG
DT
DA
DA
DT
HOH
 9.114
6.825
6.742
9.207
9.390
6.928
5.069
6.853
 N
C
ND1
ND1
CE1
NE2
NE2
O
 O3'
OP2
OP2
C7
O3'
O3'
OP2
O
HIS G:35 G:31 25.0 0.128 H -68.7 -46.7 25.0 0.128 0.0 DA
DA
DT
DA
DA
DA
DG
DT
HOH
 9.097
6.704
4.704
9.972
8.839
6.373
6.839
9.705
8.239
 CE1
NE2
NE2
NE2
C
C
CB
CE1
CE1
 O3'
O3'
OP2
OP2
O3'
OP2
OP2
C7
O
5ay8 3 P04908 94.31 4e-79 X-RAY
 2016-04-06 HIS C:35 C:31 26.0 0.133 H -57.7 -38.2 26.0 0.133 0.0 DA
DA
DA
DG
DA
DT
DA
DC
 8.885
6.550
6.336
9.826
9.593
6.573
4.619
8.790
 C
C
ND1
CE1
NE2
NE2
NE2
CE1
 O3'
OP2
OP2
O6
O3'
O3'
OP2
C5
HIS G:35 G:31 25.0 0.128 H -55.8 -34.9 25.0 0.128 0.0 DA
DA
DT
DA
DA
DA
DG
DT
MN
 9.264
6.427
4.753
8.901
8.758
6.596
6.525
8.649
8.759
 NE2
NE2
CE1
CE1
C
C
CB
CD2
NE2
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
C7
MN
5b0y 3 P04908 94.31 4e-79 X-RAY
 2016-01-27 HIS C:35 C:31 27.0 0.138 H -57.8 -50.2 27.0 0.138 0.0 DA
DA
DA
DA
DT
DA
DC
CL
HOH
 8.912
6.565
6.546
9.886
6.303
4.412
8.486
8.803
6.896
 C
C
ND1
NE2
NE2
NE2
CE1
NE2
N
 O3'
OP2
OP2
O3'
O3'
OP2
C5
CL
O
HIS G:35 G:31 26.0 0.133 H -63.5 -47.7 26.0 0.133 0.0 DA
DA
DT
DA
DA
DG
DT
CL
 9.311
6.667
4.961
8.945
6.832
6.580
9.529
8.234
 CE1
NE2
NE2
C
C
CB
ND1
CE1
 O3'
O3'
OP2
O3'
OP2
OP2
C7
CL
5b0z 3 P04908 94.31 4e-79 X-RAY
 2016-01-27 HIS C:35 C:31 33.0 0.169 H -63.9 -49.4 33.0 0.169 0.0 DA
DA
DA
DA
DT
DA
DC
CL
HOH
 8.973
6.584
6.562
9.602
6.299
4.279
8.059
9.099
3.118
 C
C
ND1
CE1
NE2
NE2
CE1
CE1
CE1
 O3'
OP2
OP2
O3'
O3'
OP2
C5
CL
O
HIS G:35 G:31 28.0 0.144 H -64.2 -48.3 28.0 0.144 0.0 DA
DA
DT
DA
DA
DA
DG
DT
CL
HOH
 9.451
6.767
5.019
9.875
8.990
6.665
6.540
9.011
8.719
3.155
 CE1
NE2
NE2
NE2
C
C
ND1
ND1
CE1
NE2
 O3'
O3'
OP2
OP2
O3'
OP2
OP2
C7
CL
O
5b1l 3 P22752 94.31 4e-79 X-RAY
 2017-02-15 HIS C:35 C:31 33.0 0.169 H -60.4 -49.8 33.0 0.169 0.0 DA
DA
DA
DA
DT
DA
DC
CL
HOH
 8.965
6.790
6.489
9.603
6.370
4.356
8.254
8.974
2.986
 C
C
CB
CE1
NE2
NE2
CE1
CE1
CE1
 O3'
OP2
OP2
O3'
O3'
OP2
C5
CL
O
HIS G:35 G:31 30.0 0.154 H -60.7 -51.2 30.0 0.154 0.0 DA
DA
DT
DA
DA
DA
DG
DT
CL
HOH
 9.560
6.766
4.766
9.283
8.873
6.756
6.500
9.093
8.694
4.835
 CE1
NE2
NE2
NE2
C
C
CB
CE1
CE1
NE2
 O3'
O3'
OP2
OP2
O3'
OP2
OP2
C7
CL
O
5b1m 3 P22752 94.31 4e-79 X-RAY
 2017-02-15 HIS C:35 C:31 45.0 0.231 H -65.8 -48.6 45.0 0.231 0.0 DA
DA
DA
DT
DA
DT
DA
DC
DA
HOH
 8.946
6.539
6.299
9.930
9.751
6.211
4.133
7.694
9.879
6.797
 C
C
ND1
CE1
NE2
NE2
NE2
CE1
CE1
N
 O3'
OP2
OP2
O4
O3'
O3'
OP2
C5
N6
O
HIS G:35 G:31 22.0 0.113 H -61.8 -48.6 22.0 0.113 0.0 DA
DA
DT
DA
DA
DA
DG
DT
HOH
 9.628
6.703
4.958
9.685
8.971
6.640
6.397
8.988
8.599
 CE1
NE2
NE2
NE2
C
C
CB
ND1
CE1
 O3'
O3'
OP2
OP2
O3'
OP2
OP2
C7
O
5b24 3 P04908 94.31 4e-79 X-RAY
 2016-03-02 HIS C:35 C:31 17.0 0.087 H -67.6 -44.6 17.0 0.087 0.0 DA
DA
DA
DA
DT
DA
DC
 8.653
6.415
6.377
9.698
6.369
4.414
8.787
 C
C
CD2
NE2
CE1
NE2
NE2
 O3'
OP2
OP2
O3'
O3'
OP2
C5
HIS G:35 G:31 26.0 0.133 H -64.8 -36.9 26.0 0.133 0.0 DA
DA
DT
DA
DA
DA
DG
DT
 9.351
6.032
4.353
9.396
8.945
6.758
6.458
8.735
 NE2
NE2
NE2
CE1
C
C
ND1
ND1
 O3'
O3'
OP2
OP2
O3'
OP2
OP2
C7
5b2i 3 P04908 94.31 4e-79 X-RAY
 2016-06-15 HIS C:35 C:31 35.0 0.179 H -71.0 -42.0 35.0 0.179 0.0 DA
DA
DG
DT
DA
DA
DT
DA
 8.873
6.572
6.678
9.009
9.728
6.083
4.562
9.494
 C
C
ND1
ND1
CE1
NE2
CE1
NE2
 O3'
OP2
OP2
C7
O3'
O3'
OP2
OP2
HIS G:35 G:31 31.0 0.159 H -67.5 -36.9 31.0 0.159 0.0 DA
DA
DT
DA
DA
DA
DG
DT
 9.448
6.243
4.538
9.832
8.801
6.476
6.614
8.804
 CE1
NE2
NE2
CE1
C
C
ND1
ND1
 O3'
O3'
OP2
N7
O3'
OP2
OP2
C7
5b2j 3 P04908 94.31 4e-79 X-RAY
 2016-06-15 HIS C:35 C:31 29.0 0.149 H -60.5 -42.8 29.0 0.149 0.0 DA
DA
DG
DT
DA
DA
DT
DA
HOH
 8.594
6.332
6.689
9.460
9.560
6.558
4.707
9.712
8.737
 C
C
CB
CE1
CE1
NE2
NE2
NE2
CE1
 O3'
OP2
OP2
C7
O3'
O3'
OP2
OP2
O
HIS G:35 G:31 28.0 0.144 H -63.8 -43.4 28.0 0.144 0.0 DA
DA
DT
DA
DA
DG
DT
HOH
 9.057
6.423
4.515
8.672
6.259
6.404
9.197
8.280
 CE1
NE2
NE2
C
C
CB
ND1
CE1
 O3'
O3'
OP2
O3'
OP2
OP2
C7
O
5b31 3 P04908 94.31 4e-79 X-RAY
 2016-08-03 HIS C:35 C:31 21.0 0.108 H -63.4 -47.7 21.0 0.108 0.0 DA
DA
DA
DA
DT
DA
DC
CL
HOH
 8.621
6.294
6.712
9.421
6.734
4.820
9.376
8.375
6.756
 C
C
CB
CE1
NE2
NE2
NE2
CE1
O
 O3'
OP2
OP2
O3'
O3'
OP2
OP2
CL
O
5b32 3 P04908 94.31 4e-79 X-RAY
 2016-08-03 HIS C:35 C:31 36.0 0.185 H -61.3 -41.6 36.0 0.185 0.0 DA
DA
DA
DA
DT
DA
DC
CL
HOH
 8.977
6.499
6.412
9.995
6.553
4.536
8.117
8.950
3.169
 C
C
ND1
CE1
NE2
NE2
CE1
NE2
CE1
 O3'
OP2
OP2
O3'
O3'
OP2
C5
CL
O
5b40 3 P04908 94.31 4e-79 X-RAY
 2016-06-22 HIS C:35 C:31 19.0 0.097 H -67.4 -38.5 19.0 0.097 0.0 DA
DA
DA
DA
DT
DA
DC
 9.038
6.766
6.417
9.184
6.263
4.643
9.498
 N
C
CB
CE1
NE2
CE1
CE1
 O3'
OP2
OP2
O3'
O3'
OP2
N4
HIS G:35 G:31 55.0 0.282 H -67.7 -37.5 55.0 0.282 0.0 DA
DA
DT
DA
DC
DA
DA
DG
DT
 9.686
6.075
4.478
9.009
9.931
9.041
6.981
6.325
9.224
 NE2
NE2
CE1
CE1
CE1
N
C
ND1
ND1
 O3'
O3'
OP2
OP2
N4
O3'
OP2
OP2
C7
5cpi 3 P04908 94.31 4e-79 X-RAY
 2015-10-28 HIS C:35 C:31 23.0 0.118 H -63.0 -44.0 23.0 0.118 0.0 DG
DA
DA
DT
DG
DT
DT
DT
DC
 9.259
6.984
6.798
8.865
9.696
9.965
6.412
4.549
9.210
 C
C
ND1
ND1
CE1
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
C7
O6
O3'
O3'
OP2
OP2
HIS G:35 G:31 34.0 0.174 H -62.9 -43.7 34.0 0.174 0.0 DT
DG
DT
DA
DA
DT
DG
DA
DT
 9.258
5.759
3.925
8.914
8.887
6.846
6.106
9.070
9.922
 CE1
CE1
NE2
NE2
C
C
CB
CD2
NE2
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
N6
O4
5cpj 3 P04908 94.31 4e-79 X-RAY
 2015-10-28 HIS C:35 C:31 35.0 0.179 H -67.9 -50.8 35.0 0.179 0.0 DG
DA
DA
DT
DG
DT
DT
DT
DC
 8.978
6.577
6.772
9.090
9.920
9.536
5.677
3.963
8.646
 C
C
ND1
ND1
CE1
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
C7
O6
O3'
O3'
OP2
OP2
HIS G:35 G:31 37.0 0.19 H -68.1 -50.9 37.0 0.19 0.0 DT
DG
DT
DA
DA
DT
DG
DA
DT
 9.245
5.538
3.783
9.175
8.770
6.346
6.092
9.275
9.884
 NE2
NE2
NE2
NE2
N
N
ND1
ND1
CE1
 O3'
C3'
OP2
OP2
O3'
OP1
OP2
N7
O4
5cpk 3 P04908 94.31 4e-79 X-RAY
 2015-10-28 HIS C:35 C:31 24.0 0.123 H -72.3 -37.4 24.0 0.123 0.0 DT
DG
DG
DA
DT
DG
DA
DT
 9.357
6.999
6.330
9.161
6.217
4.097
8.962
9.000
 C
C
CD2
CE1
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
O3'
C3'
OP2
N7
O4
HIS G:35 G:31 30.0 0.154 H -68.5 -36.6 30.0 0.154 0.0 DG
DA
DA
DT
DG
DA
DA
DT
DC
DC
 8.893
6.025
4.073
6.739
9.456
9.101
6.910
6.317
9.339
9.912
 CE1
CE1
NE2
NE2
NE2
C
N
CB
CD2
NE2
 O3'
C3'
OP2
C7
O6
O3'
OP1
OP2
N4
N4
5gse 3 P04908 94.31 4e-79 X-RAY
 2017-05-03 HIS C:35 C:31 16.0 0.082 H -57.9 -49.2 16.0 0.082 0.0 DG
DG
DA
DC
DT
DA
DG
DT
 9.080
6.952
6.269
9.567
6.474
4.636
8.778
9.857
 C
C
CD2
NE2
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
O3'
O3'
OP2
N7
O4
HIS G:35 G:31 26.0 0.133 H -59.8 -49.7 26.0 0.133 0.0 DC
DG
DA
DC
DC
DA
DA
DT
DT
 9.102
6.482
4.475
8.647
9.651
9.073
6.866
6.155
8.583
 CE1
CE1
NE2
NE2
NE2
C
C
CB
CD2
 O3'
C3'
OP2
C5
N4
O3'
OP2
OP2
C7
HIS M:35 M:31 42.0 0.215 H -60.9 -49.6 42.0 0.215 0.0 DC
DG
DA
DC
DA
DA
DT
DT
 9.204
6.181
4.464
8.775
9.046
6.943
6.301
9.028
 CE1
CE1
NE2
NE2
C
C
CB
ND1
 O3'
C3'
OP2
C5
O3'
OP1
OP2
C7
5gtc 3 P04908 94.31 4e-79 X-RAY
 2017-06-28 HIS C:35 C:31 36.0 0.185 H -62.4 -44.8 36.0 0.185 0.0 DA
DA
DA
DA
DT
DA
DC
CL
 8.892
6.658
6.516
9.699
6.708
4.939
9.342
8.700
 C
C
ND1
CE1
NE2
NE2
CE1
NE2
 O3'
OP2
OP2
O3'
O3'
OP2
C5
CL
HIS G:35 G:31 33.0 0.169 H -62.0 -41.8 33.0 0.169 0.0 DA
DA
DT
DA
DA
DA
DG
DT
CL
 9.689
6.500
4.807
9.080
8.613
6.439
6.431
9.320
8.894
 CE1
NE2
NE2
NE2
C
C
ND1
ND1
CE1
 O3'
O3'
OP2
OP2
O3'
OP2
OP2
C7
CL
5gxq 3 P04908 94.31 4e-79 X-RAY
 2017-04-19 HIS C:35 C:31 27.0 0.138 H -65.0 -43.4 27.0 0.138 0.0 DA
DA
DA
DA
DT
DA
DC
 8.928
6.635
6.684
9.395
6.566
4.861
9.347
 C
C
ND1
NE2
NE2
CE1
CE1
 O3'
OP2
OP2
O3'
O3'
OP2
C5
HIS G:35 G:31 22.0 0.113 H -69.5 -46.5 22.0 0.113 0.0 DA
DA
DT
DA
DA
DA
DG
DT
 9.243
6.537
4.903
9.926
8.704
6.289
6.600
9.572
 NE2
CE1
CE1
CE1
C
C
CB
CD2
 O3'
O3'
OP2
OP2
O3'
OP2
OP2
C7
5jrg 3 P04908 94.31 4e-79 X-RAY
 2017-03-08 HIS C:35 C:31 22.0 0.113 H -62.9 -49.9 22.0 0.113 0.0 DA
DA
DG
DT
DA
DA
DT
DA
CL
HOH
 8.935
6.812
6.494
8.874
9.368
6.572
4.756
9.480
8.811
5.561
 C
N
CB
ND1
CE1
NE2
NE2
NE2
CE1
NE2
 O3'
OP1
OP2
C7
O3'
O3'
OP2
OP2
CL
O
HIS G:35 G:31 25.0 0.128 H -63.0 -47.8 25.0 0.128 0.0 DA
DA
DT
DA
DA
DG
DT
CL
HOH
 9.639
6.774
5.087
9.140
7.176
6.581
9.141
8.340
4.619
 CE1
NE2
NE2
C
C
CB
ND1
CE1
CB
 O3'
O3'
OP2
O3'
OP2
OP2
C7
CL
O
5x7x 3 P04908 94.31 4e-79 X-RAY
 2017-04-19 HIS C:35 C:31 28.0 0.144 H -58.8 -48.7 28.0 0.144 0.0 DA
DA
DA
DA
DT
DA
DC
CL
HOH
 9.104
6.880
6.488
9.949
6.532
4.456
8.408
9.014
3.381
 C
C
ND1
CE1
NE2
NE2
CE1
CE1
CE1
 O3'
OP2
OP2
O3'
O3'
OP2
C5
CL
O
HIS G:35 G:31 27.0 0.138 H -58.6 -49.4 27.0 0.138 0.0 DA
DA
DT
DA
DA
DA
DG
DT
CL
HOH
 9.463
6.765
4.930
9.982
8.743
6.673
6.586
8.837
8.654
5.328
 CE1
NE2
NE2
NE2
C
N
ND1
ND1
CE1
NE2
 O3'
C3'
OP2
OP2
O3'
OP1
OP2
C7
CL
O
5xm0 3 C0HKE1 94.31 4e-79 X-RAY
 2018-03-07 HIS C:35 C:31 28.0 0.144 H -71.1 -35.0 28.0 0.144 0.0 DA
DA
DA
DA
DT
DA
DC
HOH
 9.016
6.660
6.681
9.504
6.634
4.985
9.178
8.337
 C
C
ND1
NE2
NE2
NE2
CE1
NE2
 O3'
OP2
OP2
O3'
O3'
OP2
N4
O
HIS G:35 G:31 29.0 0.149 H -74.3 -38.7 29.0 0.149 0.0 DA
DA
DT
DA
DA
DA
DG
DT
 9.413
6.263
4.759
9.831
8.809
6.431
6.726
9.375
 CE1
NE2
NE2
NE2
C
C
CB
ND1
 O3'
O3'
OP2
OP2
O3'
OP2
OP2
C7
5xm1 3 C0HKE1 94.31 4e-79 X-RAY
 2018-03-07 HIS C:35 C:31 23.0 0.118 H -68.7 -38.6 23.0 0.118 0.0 DA
DA
DA
DA
DT
DA
DC
 8.426
6.209
6.814
9.590
6.263
4.542
8.592
 C
C
CB
NE2
NE2
CE1
CE1
 O3'
OP2
OP2
O3'
O3'
OP2
C5
HIS G:35 G:31 22.0 0.113 H -67.6 -42.9 22.0 0.113 0.0 DA
DA
DT
DA
DA
DA
DG
DT
 9.208
6.257
4.683
9.473
8.804
6.461
6.794
9.326
 CE1
NE2
NE2
NE2
C
C
CB
ND1
 O3'
O3'
OP2
OP2
O3'
OP2
OP2
C7
5y0c 4 P04908 94.31 4e-79 X-RAY
 2018-07-18 HIS E:35 C:31 33.0 0.169 H -60.7 -45.4 33.0 0.169 0.0 DA
DA
DA
DT
DA
DC
CL
HOH
 9.050
6.979
6.288
6.605
4.441
7.778
9.215
3.019
 C
C
ND1
NE2
NE2
CE1
NE2
NE2
 O3'
OP2
OP2
O3'
OP2
C5
CL
O
HIS I:35 G:31 30.0 0.154 H -61.5 -46.4 30.0 0.154 0.0 DA
DA
DT
DA
DA
DA
DG
DT
CL
HOH
 9.474
6.757
4.872
9.693
8.739
6.470
6.378
8.524
8.561
4.024
 NE2
NE2
NE2
CE1
C
N
ND1
ND1
NE2
CB
 O3'
O3'
OP2
N7
O3'
OP1
OP2
C7
CL
O
5y0d 3 P04908 94.31 4e-79 X-RAY
 2018-07-18 HIS C:35 C:31 32.0 0.164 H -60.9 -44.8 32.0 0.164 0.0 DA
DA
DA
DT
DA
DC
CL
HOH
 9.118
6.893
6.384
6.561
4.486
7.998
9.174
2.916
 C
C
ND1
NE2
NE2
CE1
NE2
NE2
 O3'
OP2
OP2
O3'
OP2
C5
CL
O
HIS G:35 G:31 26.0 0.133 H -61.2 -47.3 26.0 0.133 0.0 DA
DA
DT
DA
DA
DA
DG
DT
CL
HOH
 9.427
6.706
4.905
9.878
8.894
6.865
6.480
8.739
8.616
3.413
 CE1
NE2
NE2
CE1
C
C
CB
ND1
NE2
NE2
 O3'
O3'
OP2
N7
O3'
OP2
OP2
C7
CL
O
5zbx 3 P04908 94.31 4e-79 X-RAY
 2019-02-13 HIS C:35 C:31 43.0 0.221 H -62.0 -43.2 43.0 0.221 0.0 DA
DA
DA
DA
DT
DA
DC
CL
 9.127
6.879
6.609
9.702
6.493
4.480
8.331
9.272
 C
C
ND1
CE1
NE2
NE2
CE1
CE1
 O3'
OP2
OP2
O3'
O3'
OP2
C5
CL
HIS G:35 G:31 33.0 0.169 H -63.8 -44.1 33.0 0.169 0.0 DA
DA
DT
DA
DA
DG
DT
CL
 9.678
7.036
5.167
8.683
6.518
6.453
9.104
8.645
 CE1
NE2
NE2
C
C
CB
ND1
CE1
 O3'
O3'
OP2
O3'
OP2
OP2
C7
CL
6a5l 18 P04908 94.31 4e-79 EM
 2018-10-03 HIS R:35 c:31 32.0 0.164 H -61.4 -36.0 32.0 0.164 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 8.640
6.474
6.701
9.084
9.979
9.688
6.756
5.243
7.591
9.063
 C
CD2
CB
CD2
NE2
CE1
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
C7
O6
O3'
C3'
OP2
C5
N4
HIS V:35 g:31 42.0 0.215 H -66.8 -36.3 42.0 0.215 0.0 DC
DA
DA
DG
DG
DG
DT
 9.593
5.389
3.817
7.583
9.556
7.437
7.944
 CE1
CE1
NE2
NE2
N
C
CB
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
6a5o 18 P04908 94.31 4e-79 EM
 2018-10-03 HIS R:35 c:31 34.0 0.174 H -69.9 -29.4 34.0 0.174 0.0 DA
DA
DT
DT
DG
DG
DC
DG
DA
DC
DC
 8.681
6.426
6.557
8.121
9.437
9.336
8.990
5.924
4.085
7.532
8.839
 C
N
CB
CD2
NE2
NE2
CE1
CE1
NE2
NE2
NE2
 O3'
OP1
OP2
C7
O6
O6
O3'
C3'
OP2
C5
N4
HIS V:35 g:31 38.0 0.195 H -68.3 -37.3 38.0 0.195 0.0 DC
DA
DA
DG
DA
DG
DG
DT
DG
DT
 9.606
6.576
4.726
8.121
8.932
8.110
6.007
5.549
8.744
8.896
 CE1
CE1
CE1
NE2
NE2
C
C
CB
CD2
NE2
 O3'
C3'
OP2
N7
N6
O3'
OP2
OP2
O6
O4
6a5p 18 P04908 94.31 4e-79 EM
 2018-10-03 HIS R:35 c:31 33.0 0.169 H -69.9 -29.4 33.0 0.169 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 9.278
7.155
6.691
8.949
9.722
6.445
5.015
7.902
9.722
 C
C
CB
CD2
CE1
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP1
OP2
N4
HIS V:35 g:31 38.0 0.195 H -68.3 -37.4 38.0 0.195 0.0 DC
DA
DA
DG
DA
DG
DG
DT
DG
DT
 9.145
6.334
5.293
8.730
9.585
8.682
6.593
5.760
9.861
9.527
 CE1
CE1
NE2
NE2
NE2
C
C
CB
CD2
NE2
 O3'
C3'
OP2
N7
N6
O3'
OP1
OP2
O6
O4
6a5r 18 P04908 94.31 4e-79 EM
 2018-10-03 HIS R:35 c:31 33.0 0.169 H -69.9 -29.5 33.0 0.169 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 9.278
7.155
6.691
8.950
9.722
6.444
5.015
7.902
9.723
 C
C
CB
CD2
CE1
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP1
OP2
N4
HIS V:35 g:31 39.0 0.2 H -68.2 -37.5 39.0 0.2 0.0
6a5t 18 P04908 94.31 4e-79 EM
 2018-10-03 HIS R:35 c:31 32.0 0.164 H -61.2 -36.1 32.0 0.164 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 8.640
6.472
6.700
9.085
9.980
9.688
6.755
5.242
7.592
9.063
 C
CD2
CB
CD2
NE2
CE1
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
C7
O6
O3'
C3'
OP2
C5
N4
HIS V:35 g:31 44.0 0.226 H -66.7 -36.3 44.0 0.226 0.0
6a5u 18 P04908 94.31 4e-79 EM
 2018-10-03 HIS R:35 c:31 31.0 0.159 H -61.2 -36.1 31.0 0.159 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 8.641
6.474
6.701
9.085
9.979
9.688
6.755
5.242
7.591
9.063
 C
CD2
CB
CD2
NE2
CE1
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
C7
O6
O3'
C3'
OP2
C5
N4
HIS V:35 g:31 46.0 0.236 H -66.8 -36.3 46.0 0.236 0.0 DC
DA
DA
DG
DG
DG
DT
 9.593
5.390
3.818
7.583
9.555
7.436
7.944
 CE1
CE1
NE2
NE2
N
C
CB
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
6hkt 3 P04908 94.31 4e-79 X-RAY
 2018-10-31 HIS C:35 C:31 26.0 0.133 H -65.0 -35.4 26.0 0.133 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 9.322
7.007
7.257
8.795
9.955
8.749
5.726
4.080
8.227
9.611
 C
N
CB
ND1
CE1
NE2
NE2
CE1
CE1
CE1
 O3'
OP1
OP2
C7
O6
O3'
C3'
OP2
C5
N4
HIS G:35 G:31 26.0 0.133 H -63.8 -36.2 26.0 0.133 0.0 DC
DT
DA
DG
DG
DG
DG
DA
DG
 9.727
7.140
5.541
9.662
9.913
8.639
6.561
6.202
9.989
 CE1
CE1
NE2
NE2
N
C
C
CD2
CD2
 O3'
C3'
OP2
N7
OP1
O3'
OP1
OP2
O6
HIS M:35 c:31 26.0 0.133 H -63.6 -36.6 26.0 0.133 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 9.799
7.499
6.923
8.618
8.410
6.242
4.933
8.917
 C
C
CB
CD2
CE1
CE1
NE2
NE2
 O3'
OP1
OP2
C7
O3'
O5'
OP2
N4
HIS Q:35 g:31 24.0 0.123 H -63.7 -36.3 24.0 0.123 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.318
5.714
3.960
8.524
9.580
9.440
7.157
7.755
 NE2
NE2
CE1
CE1
CE1
N
N
CB
 O3'
O3'
OP2
OP2
C7
O3'
OP1
OP2
HIS U:35 M:31 24.0 0.123 H -63.8 -36.0 24.0 0.123 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 9.135
6.963
6.998
8.767
8.840
5.572
3.902
8.334
9.731
 C
C
CB
ND1
NE2
NE2
CE1
CE1
CE1
 O3'
OP1
OP2
C7
O3'
C3'
OP2
C5
N4
HIS Y:35 Q:31 26.0 0.133 H -63.6 -37.8 26.0 0.133 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 8.990
6.124
4.215
8.588
9.397
8.716
6.624
6.335
9.790
9.862
 CE1
CE1
NE2
NE2
NE2
C
C
CB
CD2
NE2
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
O6
N6
HIS CA:35 m:31 27.0 0.138 H -62.8 -37.7 27.0 0.138 0.0 DA
DA
DT
DT
DG
DG
DC
DG
DA
DC
DC
 8.535
6.311
5.840
7.630
9.297
9.315
9.201
6.591
5.136
8.360
9.677
 C
C
CB
CD2
NE2
NE2
CE1
CE1
NE2
NE2
NE2
 O3'
OP1
OP2
C7
O6
O6
O3'
C3'
OP2
N4
N4
HIS GA:35 q:31 25.0 0.128 H -61.7 -36.1 25.0 0.128 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 8.574
5.788
4.219
8.662
9.532
9.516
7.327
7.090
 NE2
NE2
CE1
CE1
CE1
N
N
CB
 O3'
C3'
OP2
N7
O4
O3'
OP1
OP2
HIS KA:35 W:31 25.0 0.128 H -63.3 -35.2 25.0 0.128 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 8.902
6.591
7.150
8.794
9.904
9.006
5.629
3.937
7.893
9.285
 C
N
CB
ND1
CE1
NE2
NE2
CE1
CE1
CE1
 O3'
OP1
OP2
C7
O6
O3'
O3'
OP2
C5
N4
HIS OA:35 0:31 25.0 0.128 H -63.7 -36.4 25.0 0.128 0.0 DC
DT
DA
DG
DG
DG
DA
 8.775
6.090
4.472
9.137
9.170
7.084
6.747
 CE1
NE2
NE2
NE2
C
N
CB
 O3'
C3'
OP2
N7
O3'
OP1
OP2
HIS SA:35 w:31 25.0 0.128 H -63.6 -37.3 25.0 0.128 0.0 DA
DA
DT
DT
DG
DG
DC
DG
DA
DC
DC
DG
 8.172
6.006
5.955
7.875
9.499
9.720
9.924
6.978
5.539
8.568
9.566
9.461
 C
C
CB
CD2
NE2
NE2
CE1
CE1
NE2
NE2
NE2
N
 O3'
OP1
OP2
C7
O6
O6
O3'
O3'
OP2
N4
N4
OP1
HIS WA:35 2:31 27.0 0.138 H -63.5 -38.7 27.0 0.138 0.0 DC
DT
DA
DG
DT
DG
DA
 8.374
5.693
4.198
8.812
9.862
7.778
7.369
 NE2
NE2
CE1
CE1
CE1
N
CB
 O3'
C3'
OP2
N7
O4
OP1
OP2
6inq 18 P04908 94.31 4e-79 EM
 2019-04-03 HIS R:35 c:31 32.0 0.164 H -61.3 -36.0 32.0 0.164 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 8.639
6.474
6.704
9.085
9.980
9.689
6.755
5.244
7.591
9.063
 C
CD2
CB
CD2
NE2
CE1
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
C7
O6
O3'
C3'
OP2
C5
N4
HIS V:35 g:31 43.0 0.221 H -66.8 -36.2 43.0 0.221 0.0 DC
DA
DA
DG
DG
DG
DT
 9.593
5.389
3.818
7.584
9.557
7.436
7.943
 CE1
CE1
NE2
NE2
N
C
CB
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
6ir9 21 P04908 94.31 4e-79 EM
 2019-02-20 HIS U:35 c:31 32.0 0.164 H -61.3 -36.0 32.0 0.164 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 8.639
6.474
6.701
9.084
9.981
9.688
6.755
5.242
7.591
9.064
 C
CD2
CB
CD2
NE2
CE1
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
C7
O6
O3'
C3'
OP2
C5
N4
HIS Y:35 g:31 43.0 0.221 H -66.7 -36.4 43.0 0.221 0.0
6j4w 21 P04908 94.31 4e-79 EM
 2019-02-20 HIS U:35 c:31 34.0 0.174 H -69.9 -29.4 34.0 0.174 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 9.277
7.154
6.692
8.950
9.721
6.444
5.016
7.901
9.723
 C
C
CB
CD2
CE1
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP1
OP2
N4
HIS Y:35 g:31 39.0 0.2 H -68.3 -37.4 39.0 0.2 0.0 DC
DA
DA
DG
DA
DG
DG
DT
DG
DT
 9.147
6.335
5.293
8.730
9.585
8.683
6.594
5.759
9.862
9.527
 CE1
CE1
NE2
NE2
NE2
C
C
CB
CD2
NE2
 O3'
C3'
OP2
N7
N6
O3'
OP1
OP2
O6
O4
6j4x 21 P04908 94.31 4e-79 EM
 2019-02-20 HIS U:35 c:31 31.0 0.159 H -61.3 -36.0 31.0 0.159 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 8.639
6.473
6.702
9.085
9.981
9.688
6.756
5.241
7.590
9.063
 C
CD2
CB
CD2
NE2
CE1
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
C7
O6
O3'
C3'
OP2
C5
N4
HIS Y:35 g:31 43.0 0.221 H -66.7 -36.2 43.0 0.221 0.0
6j4y 21 P04908 94.31 4e-79 EM
 2019-02-20 HIS U:35 c:31 29.0 0.149 H -61.2 -36.1 29.0 0.149 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 8.640
6.474
6.701
9.086
9.982
9.688
6.756
5.242
7.593
9.065
 C
CD2
CB
CD2
NE2
CE1
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
C7
O6
O3'
C3'
OP2
C5
N4
HIS Y:35 g:31 43.0 0.221 H -66.6 -36.3 43.0 0.221 0.0
6j4z 20 P04908 94.31 4e-79 EM
 2019-02-20 HIS T:35 c:31 32.0 0.164 H -61.2 -36.1 32.0 0.164 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 8.641
6.476
6.701
9.086
9.979
9.688
6.756
5.243
7.591
9.061
 C
CD2
CB
CD2
NE2
CE1
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
C7
O6
O3'
C3'
OP2
C5
N4
HIS X:35 g:31 43.0 0.221 H -66.9 -36.2 43.0 0.221 0.0 DC
DA
DA
DG
DG
DG
DT
 9.593
5.390
3.818
7.584
9.555
7.435
7.944
 CE1
CE1
NE2
NE2
N
C
CB
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
6j50 20 P04908 94.31 4e-79 EM
 2019-02-20 HIS T:35 c:31 32.0 0.164 H -61.1 -36.2 32.0 0.164 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 8.640
6.474
6.702
9.085
9.979
9.688
6.754
5.241
7.592
9.061
 C
CD2
CB
CD2
NE2
CE1
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
C7
O6
O3'
C3'
OP2
C5
N4
HIS X:35 g:31 45.0 0.231 H -66.9 -36.3 45.0 0.231 0.0 DC
DA
DA
DG
DG
DG
DT
 9.591
5.390
3.820
7.584
9.555
7.436
7.944
 CE1
CE1
NE2
NE2
N
C
CB
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
6j51 21 P04908 94.31 4e-79 EM
 2019-02-20 HIS U:35 c:31 30.0 0.154 H -61.2 -36.1 30.0 0.154 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 8.641
6.474
6.701
9.086
9.979
9.688
6.754
5.241
7.592
9.062
 C
CD2
CB
CD2
NE2
CE1
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
C7
O6
O3'
C3'
OP2
C5
N4
HIS Y:35 g:31 43.0 0.221 H -66.9 -36.2 43.0 0.221 0.0 DC
DA
DA
DG
DG
DG
DT
 9.592
5.390
3.818
7.584
9.556
7.437
7.944
 CE1
CE1
NE2
NE2
N
C
CB
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
6kxv 3 P04908 94.31 4e-79 X-RAY
 2020-07-22 HIS C:35 C:31 29.0 0.149 H -61.6 -45.1 29.0 0.149 0.0 DA
DA
DA
DA
DT
DA
DC
 8.904
6.822
6.324
9.495
6.230
4.501
8.873
 C
C
ND1
NE2
NE2
NE2
CE1
 O3'
OP2
OP2
O3'
O3'
OP2
N4
HIS G:35 G:31 37.0 0.19 H -62.2 -47.3 37.0 0.19 0.0 DA
DA
DT
DA
DC
DA
DA
DG
DT
 9.272
6.350
4.474
8.940
9.349
8.393
6.013
6.540
8.700
 NE2
NE2
NE2
CE1
CE1
C
C
ND1
ND1
 O3'
C3'
OP2
OP2
N4
O3'
OP2
OP2
C7
6l49 3 P04908 94.31 4e-79 EM
 2019-12-04 HIS C:35 C:31 15.0 0.077 H -64.3 -32.4 15.0 0.077 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 9.363
7.346
7.252
9.130
9.084
5.934
4.029
9.900
 C
C
ND1
ND1
CE1
NE2
CE1
CE1
 O3'
OP2
OP2
C7
O3'
O3'
OP2
C5
HIS G:35 G:31 30.0 0.154 H -65.7 -38.9 30.0 0.154 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 8.022
5.652
3.536
9.005
9.209
9.227
6.910
6.880
9.774
9.290
 CE1
CE1
NE2
NE2
NE2
C
C
CB
CD2
NE2
 O3'
C3'
OP2
OP2
O4
O3'
OP2
OP2
O6
N6
HIS M:35 M:31 7.0 0.036 H -67.4 -37.3 7.0 0.036 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.696
6.628
6.720
8.348
9.486
6.049
3.878
8.421
9.703
 C
C
CB
CD2
CE1
CE1
NE2
NE2
CD2
 O3'
OP1
OP2
C7
O3'
C3'
OP2
C5
N4
HIS Q:35 Q:31 31.0 0.159 H -67.9 -43.4 31.0 0.159 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 7.940
5.433
3.683
8.362
7.909
8.273
6.270
5.994
8.732
7.926
 CE1
CE1
NE2
NE2
NE2
C
C
CB
CD2
NE2
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
OP2
N6
HIS U:35 U:31 6.0 0.031 H -68.0 -39.7 6.0 0.031 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
DA
 8.237
6.154
6.264
6.457
9.791
9.293
5.664
3.500
7.625
9.739
9.588
 C
C
CB
CD2
NE2
CE1
CE1
CE1
NE2
NE2
CD2
 O3'
OP1
OP2
C7
O6
O3'
C3'
OP2
C5
N4
N6
HIS Y:35 Y:31 33.0 0.169 H -68.7 -38.8 33.0 0.169 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 8.460
5.573
3.744
8.146
8.057
9.017
6.606
6.379
9.040
8.122
 CE1
CE1
NE2
NE2
NE2
C
C
CB
CD2
NE2
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
OP2
N6
6l4a 3 P04908 94.31 4e-79 EM
 2019-12-04 HIS C:35 C:31 13.0 0.067 H -69.4 -28.9 13.0 0.067 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 9.001
6.921
6.437
8.064
8.836
5.964
3.978
8.447
9.542
 C
C
CB
CD2
CE1
CE1
NE2
NE2
NE2
 O3'
OP1
OP2
C7
O3'
C3'
OP2
N4
N4
HIS G:35 G:31 29.0 0.149 H -67.8 -38.8 29.0 0.149 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 9.178
5.995
4.100
8.432
9.137
9.072
6.938
6.594
9.988
9.728
 CE1
CE1
NE2
NE2
NE2
C
C
CB
CD2
NE2
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
N7
N6
HIS M:35 M:31 13.0 0.067 H -69.6 -28.4 13.0 0.067 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.919
6.831
6.433
8.172
8.912
5.976
3.968
8.493
9.466
 C
C
CB
CD2
CE1
CE1
NE2
NE2
NE2
 O3'
OP1
OP2
C7
O3'
C3'
OP2
N4
N4
HIS Q:35 Q:31 30.0 0.154 H -68.0 -37.7 30.0 0.154 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DA
 9.059
5.917
3.959
8.435
9.412
9.113
6.970
6.755
9.921
 CE1
CE1
NE2
NE2
NE2
C
C
CB
NE2
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
N6
HIS U:35 U:31 13.0 0.067 H -70.2 -28.8 13.0 0.067 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.882
6.728
6.329
8.098
8.818
6.014
4.063
8.510
9.584
 C
C
CB
CD2
CE1
CE1
NE2
NE2
NE2
 O3'
OP1
OP2
C7
O3'
C3'
OP2
N4
N4
HIS Y:35 Y:31 31.0 0.159 H -68.1 -37.4 31.0 0.159 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DA
 9.307
5.984
4.022
8.540
9.453
9.002
6.847
6.758
9.855
 CE1
CE1
NE2
NE2
NE2
C
C
CB
NE2
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
N6
6r8y 3 P04908 94.31 4e-79 EM
 2019-06-12 HIS C:35 C:32 45.0 0.231 H -64.1 -42.3 45.0 0.231 0.0 DA
DA
DA
DA
DT
DA
DC
 7.723
5.659
6.332
8.953
5.523
4.555
7.858
 HB3
HB3
HB3
HE1
HE1
HE1
NE2
 H3'
OP2
OP2
H2''
H3'
OP2
H5
HIS G:35 G:32 45.0 0.231 H -59.1 -46.3 45.0 0.231 0.0 DA
DT
DA
DC
DA
DA
DA
DA
 9.084
5.413
4.337
7.520
9.923
8.361
6.296
6.064
 HE1
HE1
HE1
NE2
NE2
HB3
HB3
HB3
 O3'
H3'
OP2
H5
H62
O3'
H3'
OP2
6r8z 3 P04908 94.31 4e-79 EM
 2019-06-12 HIS C:35 C:32 45.0 0.231 H -64.2 -42.8 45.0 0.231 0.0 DA
DA
DA
DA
DT
DA
DC
 8.550
6.341
6.616
8.816
5.341
3.846
7.523
 HB3
HB3
HB3
HE1
HE1
HE1
NE2
 H3'
H3'
OP2
H2''
H3'
OP2
H5
HIS G:35 G:32 45.0 0.231 H -56.3 -41.5 45.0 0.231 0.0 DA
DT
DA
DC
DA
DA
DA
DA
 9.003
5.076
3.978
7.645
9.596
8.618
6.335
6.209
 HE1
HE1
HE1
NE2
NE2
HB3
HB3
HB3
 H2''
H3'
OP2
H5
H62
O3'
H3'
OP2
6r90 3 P04908 94.31 4e-79 EM
 2019-06-12 HIS C:35 C:32 31.0 0.159 H -61.1 -43.6 31.0 0.159 0.0 DA
DA
DA
DG
DT
DG
DA
DT
DA
DC
DA
 8.280
6.067
5.725
9.816
9.231
9.901
9.097
5.841
4.699
7.758
9.069
 HB3
HB3
HB3
HE1
HE1
HE1
HE1
HE1
HE1
HE1
HE1
 O3'
H3'
OP2
O6
H73
O6
H2''
H3'
OP2
H41
H62
HIS G:35 G:32 26.0 0.133 H -61.4 -45.6 26.0 0.133 0.0 DA
DT
DA
DC
DA
DA
DA
DA
DT
 9.776
6.756
5.024
7.896
8.393
8.150
5.843
6.141
9.483
 HE1
HE1
HE1
HE1
HE1
HB3
HB3
HB3
HE1
 H2''
H3'
OP2
H41
H62
O3'
H3'
OP2
O4
6r91 3 P04908 94.31 4e-79 EM
 2019-06-12 HIS C:35 C:32 46.0 0.236 H -60.7 -46.4 46.0 0.236 0.0 DC
DC
DA
DA
DA
DC
DA
DC
DT
DT
 7.929
5.601
5.840
9.785
9.898
7.600
4.633
3.642
6.752
8.181
 HB3
HB3
HB3
HD2
NE2
HE1
HE1
HE1
NE2
NE2
 O3'
OP2
OP2
H62
H61
O3'
H3'
OP2
H72
H73
HIS G:35 G:32 43.0 0.221 H -60.9 -46.0 43.0 0.221 0.0 DC
DA
DA
DA
DT
DA
DG
DT
DG
DT
DA
 8.904
5.349
3.706
8.197
7.665
9.632
8.246
5.815
5.422
7.727
8.361
 HE1
HE1
HE1
NE2
HD2
HD2
HB3
HB3
HB3
NE2
NE2
 O3'
H3'
OP2
OP2
H71
H62
O3'
H3'
OP2
H71
H62
6r92 6 P04908 94.31 4e-79 EM
 2019-06-12 HIS F:35 C:32 39.0 0.2 H -60.1 -45.7 39.0 0.2 0.0 DA
DA
DG
DT
DA
DA
DT
DA
DC
 8.328
5.930
5.728
8.486
9.044
5.457
3.988
8.779
9.069
 HB3
HB3
HB3
HE1
HE1
HE1
HE1
HE1
NE2
 O3'
H3'
OP2
H71
O3'
H3'
OP2
H62
H41
HIS J:35 G:32 36.0 0.185 H -60.0 -46.2 36.0 0.185 0.0 DT
DA
DC
DA
DC
DA
DA
DA
DA
DG
 8.807
5.363
4.200
8.487
8.702
7.699
5.553
5.108
9.684
9.926
 HE1
HE1
HE1
NE2
NE2
HB3
HB3
HB3
NE2
HE1
 H2''
H3'
OP2
H8
H41
O3'
OP2
OP2
H62
O6
6r93 5 P04908 94.31 4e-79 EM
 2019-06-12 HIS E:35 C:32 45.0 0.231 H -60.4 -45.6 45.0 0.231 0.0 DA
DA
DA
DA
DT
DA
DC
DA
 8.211
6.035
5.863
8.687
5.392
4.181
7.084
9.663
 HB3
HB3
HB3
HE1
HE1
HE2
HE2
HE2
 O3'
H3'
OP2
H2''
H3'
OP2
H5
H62
HIS I:35 G:32 41.0 0.21 H -59.8 -46.1 41.0 0.21 0.0 DA
DT
DA
DC
DA
DA
DA
DA
 8.570
5.204
4.248
7.100
9.632
8.036
5.868
6.276
 HE1
HE1
HE2
HE2
HE2
HB3
HB3
HB3
 O3'
H3'
OP2
H5
H62
O3'
OP1
OP2
6r94 5 P04908 94.31 4e-79 EM
 2019-06-12 HIS E:35 C:32 40.0 0.205 H -60.6 -45.4 40.0 0.205 0.0 DA
DA
DA
DA
DT
DA
DC
 8.580
6.197
6.308
8.476
4.654
3.800
8.206
 HB3
HB3
HB3
HE1
HE1
HE1
HE1
 O3'
H3'
OP2
O3'
H3'
OP2
H5
HIS I:35 G:32 37.0 0.19 H -60.3 -46.3 37.0 0.19 0.0 DA
DT
DA
DC
DA
DA
DA
 8.696
4.915
4.261
8.491
8.548
5.856
5.605
 HE1
HE1
HE1
NE2
HB3
HB3
HB3
 O3'
H3'
OP2
H5
O3'
H3'
OP2
6t90 3 P04908 94.31 4e-79 EM
 2020-05-06 HIS C:35 C:32 28.0 0.144 H -59.6 -46.5 28.0 0.144 0.0 DA
DA
DT
DT
DG
DA
DC
 9.258
7.077
6.427
8.956
6.278
4.229
8.845
 C
C
ND1
ND1
NE2
NE2
CE1
 O3'
OP1
OP2
C7
C3'
OP2
C5
HIS G:35 G:32 40.0 0.205 H -60.8 -45.0 40.0 0.205 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.632
6.168
4.208
8.738
9.854
9.765
7.440
6.873
 NE2
NE2
NE2
CE1
CE1
C
C
CB
 O3'
C3'
OP2
N7
C7
O3'
OP2
OP2
6t93 3 P04908 94.31 4e-79 EM
 2020-05-06 HIS C:35 C:32 25.0 0.128 H -56.3 -46.1 25.0 0.128 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 9.680
7.343
6.543
9.212
9.411
5.894
4.291
9.186
 N
N
ND1
ND1
NE2
NE2
NE2
CE1
 O3'
OP1
OP2
C7
O3'
C3'
OP2
N4
HIS G:35 G:32 49.0 0.251 H -53.7 -45.8 49.0 0.251 0.0 DC
DT
DA
DG
DT
DG
DA
 9.471
6.213
4.327
8.292
9.492
7.855
6.482
 NE2
NE2
NE2
CE1
CE1
ND1
ND1
 O3'
C3'
OP2
N7
C7
C2'
OP2
6usj 5 Q08AJ9 94.31 4e-79 EM
 2020-10-14 HIS E:35 C:31 30.0 0.154 H -62.7 -48.4 30.0 0.154 0.0 DG
DG
DA
DT
DA
DG
 8.149
5.895
5.746
6.322
4.325
8.491
 C
C
ND1
NE2
NE2
CE1
 O3'
OP2
OP2
O3'
OP2
N7
HIS I:35 G:31 17.0 0.087 H -63.5 -46.9 17.0 0.087 0.0 DC
DG
DA
DC
DA
DA
DT
DT
 7.988
4.732
2.794
9.474
9.089
6.973
6.993
8.799
 CE1
NE2
NE2
NE2
C
C
CB
ND1
 O3'
O3'
OP2
OP2
O3'
OP1
OP2
C7
HIS O:35 M:31 31.0 0.159 H -62.5 -48.4 31.0 0.159 0.0 DG
DG
DA
DT
DA
DG
 8.151
5.898
5.745
6.315
4.319
8.489
 C
C
ND1
NE2
NE2
CE1
 O3'
OP2
OP2
O3'
OP2
N7
HIS S:35 Q:31 17.0 0.087 H -63.5 -46.8 17.0 0.087 0.0 DC
DG
DA
DC
DA
DA
DT
DT
 7.990
4.732
2.795
9.477
9.080
6.983
6.998
8.795
 CE1
NE2
NE2
NE2
C
C
CB
ND1
 O3'
O3'
OP2
OP2
O3'
OP1
OP2
C7
6v2k 3 Q08AJ9 94.31 4e-79 X-RAY
 2020-11-25 HIS C:35 C:31 28.0 0.144 H -65.1 -45.8 28.0 0.144 0.0 DA
DA
DA
DA
DT
DA
DC
CL
 9.087
6.907
6.585
9.682
6.262
4.189
8.008
9.001
 C
C
CB
CE1
NE2
NE2
CE1
CE1
 O3'
OP2
OP2
O3'
O3'
OP2
C5
CL
HIS G:35 G:31 24.0 0.123 H -67.7 -44.6 24.0 0.123 0.0 DA
DA
DT
DA
DA
DA
DG
DT
CL
 9.358
6.644
4.955
9.638
8.829
6.691
6.706
9.200
8.478
 CE1
NE2
NE2
NE2
C
C
CB
ND1
CE1
 O3'
O3'
OP2
OP2
O3'
OP2
OP2
C7
CL
6yov 3 P04908 94.31 4e-79 EM
 2020-05-06 HIS C:35 C:32 31.0 0.159 H -54.8 -50.6 31.0 0.159 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
PTD
 9.654
7.319
6.923
9.002
9.673
6.376
4.490
8.321
9.660
9.705
 N
N
CB
NE2
CE1
CE1
CE1
NE2
NE2
O
 O3'
OP1
OP2
C7
O3'
C3'
OP2
C5
N4
C1
HIS G:35 G:32 17.0 0.087 H -60.9 -44.7 17.0 0.087 0.0 DC
DT
DA
DG
DG
DA
 8.820
6.045
4.430
9.754
8.324
7.569
 CE1
NE2
NE2
CE1
N
CB
 O3'
C3'
OP2
N7
OP1
OP2
7bxt 3 P04908 94.31 4e-79 EM
 2021-02-10 HIS C:35 C:31 27.0 0.138 H -74.4 -26.8 27.0 0.138 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.355
6.101
6.117
8.527
9.866
6.374
4.369
7.948
9.137
 C
C
ND1
ND1
NE2
NE2
NE2
CE1
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
N4
HIS G:35 G:31 42.0 0.215 H -70.3 -36.4 42.0 0.215 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 9.348
6.287
4.165
8.245
9.209
8.818
6.647
6.617
9.748
9.914
 NE2
NE2
NE2
CE1
CE1
C
C
CB
CE1
CE1
 O3'
C3'
OP2
N7
C7
O3'
OP2
OP2
O6
N6
7c0m 3 P04908 94.31 4e-79 EM
 2020-09-16 HIS C:35 C:31 35.0 0.179 H -66.3 -48.1 35.0 0.179 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.928
6.670
6.275
8.422
9.429
6.265
4.211
8.370
9.545
 C
C
CB
CD2
CE1
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
N4
HIS G:35 G:31 27.0 0.138 H -61.7 -43.0 27.0 0.138 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.469
6.270
4.329
8.841
9.846
9.116
7.126
6.139
 NE2
NE2
CE1
CE1
CE1
C
C
CB
 O3'
C3'
OP2
OP2
C7
O3'
OP2
OP2
HIS N:35 c:31 34.0 0.174 H -66.3 -48.1 34.0 0.174 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.929
6.670
6.276
8.422
9.428
6.265
4.211
8.371
9.545
 C
C
CB
CD2
CE1
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
N4
HIS R:35 g:31 28.0 0.144 H -61.8 -43.0 28.0 0.144 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.469
6.271
4.329
8.841
9.846
9.116
7.127
6.140
 NE2
NE2
CE1
CE1
CE1
C
C
CB
 O3'
C3'
OP2
OP2
C7
O3'
OP2
OP2
7d1z 3 P04908 94.31 4e-79 EM
 2021-02-10 HIS C:35 C:31 12.0 0.062 H -64.0 -41.9 12.0 0.062 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 8.940
6.649
6.330
9.216
9.283
6.287
4.249
8.657
 C
C
CB
CE1
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
HIS F:35 G:31 28.0 0.144 H -61.8 -44.5 28.0 0.144 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.454
6.248
4.270
8.712
9.864
9.135
6.995
6.239
 NE2
NE2
CE1
CE1
CE1
C
C
CB
 O3'
C3'
OP2
OP2
C7
O3'
OP2
OP2
7d20 3 P04908 94.31 4e-79 EM
 2021-02-10 HIS D:35 C:31 15.0 0.077 H -61.7 -44.5 15.0 0.077 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.760
6.302
6.126
9.155
9.443
6.378
4.298
8.640
9.659
 C
C
CB
CE1
CE1
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
OP2
N4
HIS G:35 G:31 33.0 0.169 H -63.4 -44.0 33.0 0.169 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.737
6.268
4.236
8.095
9.520
8.934
6.628
6.188
 NE2
NE2
NE2
CE1
CE1
C
C
CB
 O3'
C3'
OP2
OP2
C7
O3'
OP2
OP2
7dbh 3 C0HKE1 94.31 4e-79 EM
 2022-01-19 HIS C:35 C:31 35.0 0.179 H -70.2 -41.4 35.0 0.179 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.616
6.189
6.867
8.343
9.822
6.478
4.716
8.653
9.176
 C
C
CB
CD2
CE1
CE1
CE1
NE2
NE2
 O3'
OP1
OP2
C7
O3'
C3'
OP2
C5
N4
HIS G:35 G:31 35.0 0.179 H -60.7 -45.2 35.0 0.179 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 9.708
6.197
4.301
8.272
9.153
8.991
6.684
6.440
9.967
9.780
 NE2
NE2
NE2
CE1
CE1
N
N
ND1
CE1
CE1
 O3'
O3'
OP2
N7
C7
O3'
OP1
OP2
O6
N6
7scy 5 Q08AJ9 94.31 4e-79 EM
 2022-01-12 HIS E:35 C:31 34.0 0.174 H -56.9 -45.9 34.0 0.174 0.0 DC
DG
DA
DC
DC
DA
DA
DA
DT
DT
DG
DG
 8.384
4.267
2.366
6.007
7.303
8.900
8.215
5.426
5.417
6.567
8.350
8.450
 HE2
HE2
HE2
HE1
HE1
HE1
HB3
HB3
HB3
HE1
HE1
HE1
 O3'
H2''
OP2
H42
H42
H61
O3'
H3'
OP2
H71
O6
O6
HIS I:35 G:31 36.0 0.185 H -58.6 -49.7 36.0 0.185 0.0 DG
DG
DA
DG
DA
DC
DC
DT
DA
DG
DT
DC
 7.493
5.200
7.075
8.941
7.878
8.692
8.843
4.468
2.432
6.783
7.621
9.662
 HB3
HB3
ND1
HE1
HE1
HE1
HE2
HE2
HE2
HE1
HE1
HE1
 O3'
H3'
H8
O6
H62
H41
O3'
H2''
OP2
N7
H72
H42
7scz 5 Q08AJ9 94.31 4e-79 EM
 2022-01-19 HIS E:35 C:31 28.0 0.144 H -59.8 -42.0 28.0 0.144 0.0 DC
DG
DA
DC
DC
DA
DA
DA
DT
DT
DG
DG
 8.124
4.297
3.325
6.543
7.820
9.556
8.509
5.333
5.218
7.072
8.929
9.496
 HE2
HE2
HE2
HE1
HE1
HE1
HB3
HB3
HB3
HE1
HE1
HE1
 O3'
H3'
OP2
H5
H42
H61
O3'
H3'
OP2
H71
O6
O6
HIS I:35 G:31 27.0 0.138 H -62.5 -48.3 27.0 0.138 0.0 DG
DG
DA
DG
DA
DC
DC
DT
DA
DG
DT
 8.092
5.264
7.659
9.743
8.640
9.065
7.860
4.424
3.225
7.488
8.687
 HB3
HB3
ND1
HE1
HE1
HE1
HE1
HE2
HE2
HE1
HE1
 O3'
H3'
H8
N7
H62
H41
O3'
H3'
OP2
N7
H72
7vbm 3 C0HKE1 94.31 4e-79 EM
 2022-01-19 HIS C:35 C:31 29.0 0.149 H -64.5 -44.2 29.0 0.149 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.872
6.725
6.200
9.213
9.482
6.102
4.390
8.677
9.526
 C
C
ND1
ND1
NE2
NE2
NE2
CE1
CE1
 O3'
OP1
OP2
C7
O3'
C3'
OP2
N4
N4
HIS G:35 G:31 38.0 0.195 H -62.2 -45.0 38.0 0.195 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.362
6.346
4.426
8.890
9.931
9.060
6.747
6.228
 CE1
CE1
NE2
NE2
NE2
C
C
CB
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
2cv5 4 P28001 94.31 4e-79 X-RAY
 2005-06-28 HIS E:32 C:31 27.0 0.138 H -61.7 -45.2 27.0 0.138 0.0 DA
DA
DA
DA
DT
DA
DC
CL
HOH
 9.091
6.826
6.572
9.924
6.225
4.281
8.280
8.834
7.011
 C
C
CB
CE1
CE1
NE2
NE2
CE1
N
 O3'
OP2
OP2
O3'
O3'
OP2
C5
CL
O
HIS I:32 G:31 33.0 0.169 H -62.8 -45.0 33.0 0.169 0.0 DA
DA
DT
DA
DA
DG
DT
CL
HOH
 9.625
7.038
5.144
8.757
6.474
6.511
9.439
8.254
4.029
 NE2
NE2
CE1
C
N
CB
CD2
NE2
NE2
 O3'
C2'
OP2
O3'
OP1
OP2
C7
CL
O
5xf3 3 P04908 94.31 4e-79 X-RAY
 2017-10-11 HIS C:32 C:31 11.0 0.056 H -59.2 -46.9 11.0 0.056 0.0 DA
DA
DG
DT
DA
DA
DT
 8.825
6.559
6.414
9.223
9.580
6.671
4.942
 C
C
CB
CD2
NE2
CE1
NE2
 O3'
OP2
OP2
C7
O3'
O3'
OP2
HIS G:32 G:31 16.0 0.082 H -55.8 -36.7 16.0 0.082 0.0 DA
DT
DA
DC
DA
DA
DA
 9.600
6.416
4.679
9.420
8.868
6.401
6.384
 NE2
CE1
CE1
NE2
C
C
CB
 O3'
O3'
OP2
N4
O3'
OP2
OP2
5xf4 3 P04908 94.31 4e-79 X-RAY
 2017-10-11 HIS C:32 C:31 10.0 0.051 H -59.3 -52.1 10.0 0.051 0.0 DA
DA
DG
DT
DA
DA
DT
 8.749
6.410
6.492
9.331
9.531
6.632
4.959
 C
C
CB
CD2
NE2
CE1
NE2
 O3'
OP2
OP2
C7
O3'
O3'
OP2
HIS G:32 G:31 14.0 0.072 H -65.6 -40.1 14.0 0.072 0.0 DA
DT
DA
DC
DA
DA
DA
 9.485
6.389
4.685
9.470
8.850
6.417
6.454
 NE2
CE1
CE1
NE2
C
C
CB
 O3'
O3'
OP2
N4
O3'
OP2
OP2
5xf5 3 P04908 94.31 4e-79 X-RAY
 2017-10-11 HIS C:32 C:31 11.0 0.056 H -60.2 -45.5 11.0 0.056 0.0 DA
DA
DG
DT
DA
DA
DT
 8.957
6.530
6.409
9.445
9.358
6.657
4.932
 C
C
CB
CD2
NE2
CE1
CE1
 O3'
OP2
OP2
C7
O3'
O3'
OP2
HIS G:32 G:31 17.0 0.087 H -51.8 -49.9 17.0 0.087 0.0 DA
DT
DA
DC
DA
DA
DA
 9.545
6.451
4.387
9.005
8.906
6.420
6.452
 NE2
CE1
CE1
CE1
C
C
CB
 O3'
O3'
OP2
C5
O3'
OP2
OP2
6buz 3 P04908 94.31 4e-79 EM
 2017-12-20 HIS C:32 C:32 32.0 0.164 H -66.6 -28.5 32.0 0.164 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 8.607
6.569
6.150
8.532
9.857
6.530
4.631
8.840
 C
C
ND1
ND1
NE2
NE2
NE2
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
HIS G:32 G:32 32.0 0.164 H -66.6 -28.5 32.0 0.164 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.396
6.589
4.269
8.756
9.938
9.191
7.075
5.872
 NE2
NE2
NE2
CE1
CE1
C
C
ND1
 O3'
C3'
OP2
N7
O4
O3'
OP1
OP2
6e0c 3 P04908 94.31 4e-79 EM
 2019-05-22 HIS C:32 C:31 28.0 0.144 H -67.0 -41.1 28.0 0.144 0.0 DC
DG
DA
DC
DC
DA
DA
DT
DT
 9.197
6.119
4.489
8.480
9.631
8.978
6.971
6.289
8.647
 NE2
NE2
NE2
CE1
CE1
C
C
ND1
ND1
 O3'
C3'
OP2
C5
N4
O3'
OP2
OP2
C7
HIS G:32 G:31 29.0 0.149 H -67.6 -40.8 29.0 0.149 0.0 DG
DG
DA
DC
DT
DA
DG
DT
 8.988
6.931
6.291
9.263
6.325
4.499
8.661
9.709
 C
C
ND1
NE2
NE2
CE1
CE1
CE1
 O3'
OP2
OP2
O3'
C3'
OP2
N7
O4
6e0p 3 P04908 94.31 4e-79 EM
 2019-05-22 HIS C:32 C:31 27.0 0.138 H -67.5 -41.0 27.0 0.138 0.0 DA
DA
DT
DG
DG
DG
DA
 9.450
6.158
4.245
9.553
8.726
6.305
6.252
 NE2
NE2
NE2
CE1
C
C
ND1
 O3'
O3'
OP2
N7
O3'
OP2
OP2
HIS G:32 G:31 31.0 0.159 H -67.0 -40.4 31.0 0.159 0.0 DA
DA
DA
DA
DT
DA
DC
 8.800
6.587
6.398
9.432
6.362
4.298
9.084
 C
C
ND1
NE2
NE2
NE2
CE1
 O3'
OP2
OP2
O3'
O3'
OP2
C5
6hts 7 P04908 94.31 4e-79 EM
 2018-11-07 HIS K:32 K:31 26.0 0.133 H -60.9 -47.6 26.0 0.133 0.0 DC
DG
DA
DC
DA
DA
DT
DT
 8.732
5.876
4.214
8.936
9.041
6.909
6.395
9.143
 CE1
NE2
NE2
NE2
C
N
ND1
ND1
 O3'
C3'
OP2
C5
O3'
OP1
OP2
C7
HIS O:32 O:31 27.0 0.138 H -60.9 -47.5 27.0 0.138 0.0 DG
DA
DG
DC
DT
DA
 8.178
5.821
5.950
7.416
5.656
9.447
 C
C
ND1
NE2
NE2
NE2
 C3'
OP2
OP2
O3'
OP2
OP2
6l9z 3 P04908 94.31 4e-79 X-RAY
 2021-02-17 HIS C:32 C:31 29.0 0.149 H -56.2 -47.2 29.0 0.149 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
CL
HOH
 9.160
7.007
6.415
9.180
9.136
6.104
4.169
8.339
9.852
8.415
7.104
 C
C
CB
ND1
NE2
NE2
CE1
CE1
CE1
NE2
N
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
N4
CL
O
HIS G:32 G:31 21.0 0.108 H -60.1 -42.7 21.0 0.108 0.0 DC
DT
DA
DG
DT
DG
DG
DA
CL
 8.668
6.077
4.495
8.779
9.623
9.152
7.010
6.312
7.892
 NE2
NE2
NE2
CE1
CE1
C
C
ND1
NE2
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
CL
HIS M:32 M:31 27.0 0.138 H -58.9 -44.3 27.0 0.138 0.0 DC
DT
DA
DG
DT
DG
DG
DA
CL
HOH
 9.102
6.143
4.170
8.490
9.686
9.189
7.072
6.378
8.279
7.142
 NE2
NE2
CE1
CE1
CE1
C
C
CB
NE2
N
 O3'
C3'
OP2
N7
C7
O3'
OP2
OP2
CL
O
HIS Q:32 Q:31 16.0 0.082 H -60.8 -47.3 16.0 0.082 0.0 DA
DA
DT
DT
DC
DG
DA
DC
CL
 9.015
6.907
6.088
7.874
8.971
5.891
4.450
9.052
8.087
 C
C
ND1
ND1
NE2
NE2
NE2
CE1
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
CL
6la2 3 P04908 94.31 4e-79 X-RAY
 2021-02-17 HIS C:32 g:31 26.0 0.133 H -51.4 -48.6 26.0 0.133 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 9.412
5.824
3.866
8.381
9.727
9.048
6.933
6.289
9.901
9.858
 NE2
NE2
NE2
CE1
CE1
C
C
ND1
ND1
CE1
 O3'
O3'
OP2
N7
C7
O3'
OP2
OP2
N7
N6
HIS G:32 k:31 20.0 0.103 H -51.6 -48.3 20.0 0.103 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 9.389
7.228
6.472
8.527
9.203
5.589
3.995
8.288
9.517
 C
C
CB
ND1
NE2
NE2
NE2
CE1
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
N4
N4
HIS M:32 C:31 25.0 0.128 H -51.8 -48.1 25.0 0.128 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.422
5.784
3.923
8.566
9.889
9.019
6.955
6.147
 NE2
NE2
NE2
CE1
CE1
C
C
ND1
 O3'
O3'
OP2
N7
C7
O3'
OP1
OP2
HIS Q:32 G:31 19.0 0.097 H -51.0 -48.6 19.0 0.097 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 9.038
7.012
6.205
8.549
9.372
5.860
4.138
8.434
9.572
 C
C
ND1
ND1
NE2
NE2
NE2
CE1
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
N4
N4
HIS W:32 M:31 27.0 0.138 H -51.1 -48.6 27.0 0.138 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 9.404
5.439
3.704
8.039
9.435
9.348
7.157
6.766
9.807
9.783
 NE2
NE2
NE2
CE1
CE1
C
C
CB
ND1
CE1
 O3'
O3'
OP2
N7
O4
O3'
OP2
OP2
O6
N6
HIS AA:32 Q:31 20.0 0.103 H -51.6 -48.1 20.0 0.103 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.843
6.800
6.402
7.716
9.012
5.666
4.167
7.988
9.761
 C
C
ND1
ND1
NE2
NE2
NE2
CE1
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
N4
N4
HIS GA:32 W:31 27.0 0.138 H -51.3 -48.5 27.0 0.138 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 9.191
5.738
4.019
8.374
9.512
9.301
7.082
6.591
9.914
9.900
 NE2
NE2
NE2
CE1
CE1
C
C
CB
ND1
CE1
 O3'
O3'
OP2
N7
O4
O3'
OP2
OP2
N7
N6
HIS KA:32 a:31 20.0 0.103 H -51.4 -48.4 20.0 0.103 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 8.872
6.773
6.276
8.080
9.542
9.246
5.725
4.110
8.028
9.852
 C
N
ND1
CE1
CE1
NE2
NE2
NE2
CE1
CE1
 O3'
OP1
OP2
C7
O6
O3'
C3'
OP2
N4
N4
6la8 3 P04908 94.31 4e-79 X-RAY
 2020-10-07 HIS C:32 C:31 26.0 0.133 H -53.2 -43.2 26.0 0.133 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 9.250
7.150
6.457
8.238
9.616
9.057
6.034
4.103
8.612
9.558
 C
N
ND1
ND1
CE1
NE2
NE2
NE2
CE1
CE1
 O3'
OP1
OP2
C7
O6
O3'
C3'
OP2
N4
N4
HIS G:32 G:31 13.0 0.067 H -53.7 -42.7 13.0 0.067 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 9.009
5.921
4.288
8.108
9.378
9.314
7.017
6.437
9.870
9.886
 NE2
NE2
CE1
CE1
CE1
C
C
ND1
ND1
CE1
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
N7
N6
HIS M:32 M:31 27.0 0.138 H -54.0 -42.6 27.0 0.138 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
CA
 9.363
7.293
6.264
8.355
9.879
9.088
5.933
4.191
8.415
9.098
9.245
 C
C
ND1
ND1
CE1
NE2
NE2
CE1
CE1
CE1
CE1
 O3'
OP2
OP2
C7
O6
O3'
C3'
OP2
C5
N4
CA
HIS Q:32 Q:31 13.0 0.067 H -53.5 -42.8 13.0 0.067 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 9.248
5.990
4.100
8.319
9.734
9.170
6.895
6.694
9.989
9.812
 NE2
NE2
NE2
CE1
CE1
C
N
ND1
ND1
CE1
 O3'
C3'
OP2
N7
C7
O3'
OP1
OP2
N7
N6
6la9 3 P04908 94.31 4e-79 X-RAY
 2020-10-07 HIS C:32 C:31 27.0 0.138 H -52.9 -44.3 27.0 0.138 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
HOH
 9.356
7.394
6.290
8.355
9.942
9.143
6.007
3.771
8.609
9.696
8.404
 C
C
ND1
ND1
CE1
NE2
NE2
NE2
CE1
CE1
O
 O3'
OP2
OP2
C7
O6
O3'
O3'
OP2
N4
N4
O
HIS G:32 G:31 13.0 0.067 H -53.1 -44.1 13.0 0.067 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
CA
 9.343
5.779
3.934
8.147
9.022
8.868
6.505
6.155
9.820
9.435
8.889
 NE2
NE2
NE2
CE1
CE1
C
C
CB
ND1
CE1
CE1
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
N7
N6
CA
HIS M:32 M:31 27.0 0.138 H -52.9 -44.4 27.0 0.138 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 9.188
7.162
6.256
8.305
9.077
5.856
3.679
8.022
8.976
 C
N
ND1
ND1
NE2
NE2
NE2
CE1
CE1
 O3'
OP1
OP2
C7
O3'
C3'
OP2
C5
N4
HIS Q:32 Q:31 16.0 0.082 H -52.6 -44.2 16.0 0.082 0.0 DC
DT
DA
DG
DG
DG
DA
DG
 8.665
5.607
3.838
8.171
9.136
6.905
6.605
9.439
 NE2
NE2
CE1
CE1
C
C
ND1
ND1
 O3'
O3'
OP2
N7
O3'
OP2
OP2
N7
6lab 3 P04908 94.31 4e-79 X-RAY
 2021-02-17 HIS C:32 C:31 26.0 0.133 H -62.0 -34.8 26.0 0.133 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
CA
 9.012
6.906
6.460
8.895
9.840
9.236
6.037
4.437
7.925
9.082
8.829
 C
C
CB
ND1
CE1
NE2
NE2
NE2
CE1
CE1
CE1
 O3'
OP1
OP2
C7
O6
O3'
C3'
OP2
C5
N4
CA
HIS G:32 G:31 29.0 0.149 H -62.4 -33.0 29.0 0.149 0.0 DC
DG
DA
DC
DC
DA
DA
DT
DT
 8.698
5.577
3.857
8.054
9.415
9.093
6.692
6.534
9.091
 NE2
NE2
CE1
CE1
CE1
C
C
CB
ND1
 O3'
C3'
OP2
C5
N4
O3'
OP2
OP2
C7
HIS M:32 M:31 26.0 0.133 H -60.5 -24.9 26.0 0.133 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
CL
 9.213
6.909
6.468
8.814
9.225
5.943
4.359
8.201
9.335
8.313
 C
C
CB
ND1
NE2
NE2
CE1
CE1
CE1
CD2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
N4
CL
HIS Q:32 Q:31 10.0 0.051 H -58.9 -41.3 10.0 0.051 0.0 DC
DG
DA
DC
DA
DA
DT
DT
CL
 8.870
5.997
4.502
9.226
9.189
7.060
6.313
8.281
8.230
 CE1
NE2
NE2
CE1
C
N
CB
ND1
NE2
 O3'
C3'
OP2
N4
O3'
OP1
OP2
C7
CL
6ler 3 P04908 94.31 4e-79 X-RAY
 2021-03-03 HIS C:32 M:31 27.0 0.138 H -63.6 -38.7 NA NA NA
HIS G:32 Q:31 14.0 0.072 H -61.3 -49.1 NA NA NA
HIS M:32 C:31 28.0 0.144 H -57.9 -46.8 28.0 0.144 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 9.047
6.971
6.218
8.426
9.762
8.940
5.916
4.452
8.348
9.233
 C
C
ND1
ND1
CE1
NE2
NE2
CE1
CE1
CE1
 O3'
OP2
OP2
C7
O6
O3'
C3'
OP2
C5
N4
HIS Q:32 G:31 10.0 0.051 H -59.7 -34.6 10.0 0.051 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 9.001
5.797
4.337
8.966
9.691
9.047
6.982
6.291
9.862
9.757
 NE2
NE2
CE1
CE1
CE1
C
C
ND1
ND1
CE1
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
N7
N6
6m3v 3 P04908 94.31 4e-79 X-RAY
 2020-10-07 HIS C:32 C:31 18.0 0.092 H -49.6 -47.9 18.0 0.092 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 8.638
6.053
4.584
8.627
9.982
9.254
6.834
6.394
9.014
9.625
 NE2
NE2
NE2
CE1
CE1
C
C
ND1
ND1
CE1
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
N7
N6
HIS G:32 G:31 19.0 0.097 H -49.3 -48.6 19.0 0.097 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 8.582
6.340
7.178
8.067
9.118
9.050
5.775
3.948
8.012
8.955
 C
N
CB
ND1
CE1
NE2
NE2
NE2
CE1
CE1
 O3'
OP1
OP2
C7
O6
O3'
C3'
OP2
N4
N4
HIS M:32 M:31 20.0 0.103 H -49.3 -48.8 20.0 0.103 0.0 DA
DA
DT
DT
DG
DG
DC
DG
DA
DC
DC
 8.892
6.710
6.485
8.086
9.438
9.750
8.920
5.553
3.897
7.880
9.395
 C
C
ND1
ND1
CE1
CE1
NE2
NE2
CE1
CE1
CE1
 O3'
OP2
OP2
C7
O6
O6
O3'
C3'
OP2
N4
N4
HIS Q:32 Q:31 20.0 0.103 H -49.5 -48.5 20.0 0.103 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
 8.894
5.771
4.479
8.262
9.498
8.769
6.588
6.847
9.285
 NE2
NE2
CE1
CE1
CE1
C
C
ND1
ND1
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
N7
6m44 3 P04908 94.31 4e-79 X-RAY
 2020-10-07 HIS C:32 C:31 23.0 0.118 H -50.8 -41.0 23.0 0.118 0.0 DC
DT
DA
DG
DG
DG
DA
DG
DA
 8.437
6.067
3.971
8.583
9.247
6.903
6.091
9.381
9.808
 NE2
NE2
NE2
CE1
C
C
ND1
ND1
CE1
 O3'
C3'
OP2
N7
O3'
OP1
OP2
N7
N6
HIS G:32 G:31 20.0 0.103 H -51.1 -40.7 20.0 0.103 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 8.475
6.111
6.453
8.597
9.211
9.223
5.902
4.059
8.072
8.987
 C
C
ND1
ND1
CE1
NE2
NE2
NE2
CE1
CE1
 O3'
OP1
OP2
C7
O6
O3'
C3'
OP2
N4
N4
HIS M:32 M:31 21.0 0.108 H -50.5 -41.7 21.0 0.108 0.0 DA
DA
DT
DT
DG
DG
DC
DG
DA
DC
DC
 8.546
6.307
6.015
8.156
9.813
9.839
9.206
5.733
4.189
7.830
9.533
 C
C
ND1
ND1
CE1
CE1
NE2
NE2
NE2
CE1
CE1
 O3'
OP1
OP2
C7
O6
O6
O3'
C3'
OP2
N4
N4
HIS Q:32 Q:31 22.0 0.113 H -51.2 -40.7 22.0 0.113 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
 9.264
5.729
4.142
8.562
9.545
8.784
6.660
5.878
9.307
 NE2
NE2
NE2
CE1
CE1
C
C
ND1
ND1
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
N7
6o1d 3 P04908 94.31 4e-79 EM
 2019-05-22 HIS C:32 C:31 27.0 0.138 H -69.3 -40.7 27.0 0.138 0.0 DA
DA
DT
DG
DG
DG
DA
 9.851
6.372
4.322
9.537
8.777
6.398
6.084
 NE2
NE2
NE2
NE2
C
C
ND1
 O3'
O3'
OP2
OP2
O3'
OP2
OP2
HIS G:32 G:31 27.0 0.138 H -66.0 -42.7 27.0 0.138 0.0 DA
DA
DA
DA
DT
DA
DC
 9.167
6.757
6.389
9.688
6.462
4.371
9.233
 C
C
ND1
NE2
NE2
NE2
CE1
 O3'
OP2
OP2
O3'
O3'
OP2
C5
6v92 25 P04908 94.31 4e-79 EM
 2020-01-15 HIS DA:32 c:31 26.0 0.133 H -61.6 -45.2 26.0 0.133 0.0 DA
DA
DA
DA
DT
DA
DC
 9.090
6.825
6.572
9.925
6.225
4.281
8.280
 C
C
CB
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
O3'
O3'
OP2
C5
HIS HA:32 g:31 34.0 0.174 H -62.8 -45.0 34.0 0.174 0.0 DA
DA
DT
DA
DA
DG
DT
 9.625
7.038
5.145
8.756
6.475
6.511
9.440
 NE2
NE2
CE1
C
N
CB
CD2
 O3'
C2'
OP2
O3'
OP1
OP2
C7
7by0 3 P04908 94.31 4e-79 EM
 2021-02-10 HIS C:32 C:31 29.0 0.149 H -73.3 -32.4 29.0 0.149 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 9.009
6.802
7.617
9.438
9.264
5.698
4.231
8.364
9.820
 C
C
CB
ND1
NE2
NE2
CE1
CE1
CE1
 O3'
OP1
OP2
C7
O3'
C3'
OP2
N4
N4
HIS G:32 G:31 55.0 0.282 H -66.8 -29.7 55.0 0.282 0.0 DT
DA
DG
DT
DG
DG
DA
 7.087
4.663
7.145
8.865
9.067
6.868
7.546
 NE2
NE2
CE1
CE1
C
C
CB
 O3'
OP2
OP2
C7
O3'
OP2
OP2
7dbp 4 P04908 94.31 4e-79 EM
 2020-12-23 HIS D:32 C:31 27.0 0.138 H -64.2 -41.0 27.0 0.138 0.0 DC
DA
DA
DA
DC
DC
 9.784
7.654
7.748
7.578
5.590
9.892
 C
C
CB
NE2
NE2
NE2
 O3'
OP1
OP2
C3'
OP2
C5
HIS H:32 G:31 29.0 0.149 H -64.3 -41.0 29.0 0.149 0.0 DC
DT
DA
DG
 7.406
5.403
7.985
7.798
 NE2
NE2
C
CB
 C3'
OP2
OP2
OP2
7k5x 3 P04908 94.31 4e-79 EM
 2020-11-25 HIS C:32 C:31 31.0 0.159 H -64.4 -42.6 31.0 0.159 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.707
6.365
4.436
8.916
9.910
9.155
6.849
6.200
 NE2
NE2
NE2
CE1
CE1
C
C
ND1
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
HIS G:32 G:31 29.0 0.149 H -65.7 -42.6 29.0 0.149 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.978
6.543
6.200
8.926
9.254
6.171
4.296
8.704
9.956
 C
C
ND1
ND1
NE2
NE2
NE2
CE1
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
N4
N4
7k5y 3 P04908 94.31 4e-79 EM
 2020-11-25 HIS C:32 C:31 25.0 0.128 H -64.3 -42.3 25.0 0.128 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.354
6.299
4.460
9.143
9.839
9.117
6.948
6.307
 CE1
NE2
NE2
CE1
CE1
C
C
ND1
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
HIS G:32 G:31 25.0 0.128 H -63.4 -43.6 25.0 0.128 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 8.956
6.493
6.508
9.343
9.272
6.263
4.453
8.735
 C
C
ND1
ND1
CE1
NE2
NE2
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
N4
7k60 3 P04908 94.31 4e-79 EM
 2020-11-25 HIS C:32 C:31 25.0 0.128 H -65.3 -39.4 25.0 0.128 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.314
5.901
4.304
8.862
9.971
9.204
6.882
6.456
 NE2
NE2
NE2
CE1
CE1
C
C
ND1
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
HIS G:32 G:31 27.0 0.138 H -64.7 -40.8 27.0 0.138 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 8.871
6.380
6.454
8.788
9.153
6.014
4.391
8.898
 C
C
ND1
ND1
CE1
NE2
NE2
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
N4
7k61 3 P04908 94.31 4e-79 EM
 2020-11-25 HIS C:32 C:31 28.0 0.144 H -62.3 -42.9 28.0 0.144 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.148
6.049
4.274
8.559
9.545
8.935
6.721
6.041
 NE2
NE2
NE2
CE1
CE1
C
C
ND1
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
HIS G:32 G:31 26.0 0.133 H -64.4 -42.6 26.0 0.133 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.812
6.726
6.120
8.501
9.014
5.885
4.112
8.355
9.512
 C
C
ND1
ND1
NE2
NE2
NE2
CE1
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
N4
7k63 3 P04908 94.31 4e-79 EM
 2020-11-25 HIS C:32 C:31 25.0 0.128 H -62.5 -43.2 25.0 0.128 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.279
6.043
4.376
8.868
9.994
9.190
6.923
6.160
 NE2
NE2
NE2
CE1
CE1
C
C
ND1
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
HIS G:32 G:31 29.0 0.149 H -65.1 -41.2 29.0 0.149 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.718
6.243
6.241
8.648
9.283
6.104
4.189
8.320
9.719
 C
C
ND1
ND1
NE2
NE2
NE2
CE1
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
N4
7nl0 3 P04908 94.31 4e-79 EM
 2021-08-11 HIS C:32 C:31 25.0 0.128 H -63.4 -42.0 25.0 0.128 0.0 DA
DA
DC
DT
DT
DC
DC
 8.654
6.221
6.225
9.415
6.533
4.607
8.700
 C
C
CD2
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
O3'
C3'
OP2
C5
HIS G:32 G:31 24.0 0.123 H -60.5 -44.6 24.0 0.123 0.0 DA
DC
DT
DC
DA
DT
DT
 9.288
6.385
4.452
9.095
8.841
6.766
6.583
 NE2
NE2
CE1
CE1
C
C
CB
 O3'
C3'
OP2
C5
O3'
OP1
OP2
6t79 3 P04908 94.31 5e-79 EM
 2020-04-29 HIS C:53 C:31 38.0 0.195 H -64.8 -39.6 38.0 0.195 0.0 DT
DT
DT
DA
DA
DA
DA
DC
DA
 8.908
6.820
6.338
9.818
9.602
6.211
4.217
7.983
9.657
 C
C
CB
CD2
CE1
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
N6
O3'
C3'
OP2
C5
N6
HIS G:53 G:31 38.0 0.195 H -64.9 -39.5 38.0 0.195 0.0 DT
DG
DC
DC
DT
DC
DG
DT
DT
DA
 9.372
5.981
4.338
8.015
9.149
8.990
6.973
6.419
8.172
9.975
 CE1
CE1
NE2
NE2
NE2
C
C
CB
CD2
NE2
 O3'
C3'
OP2
C5
C7
O3'
OP2
OP2
C7
N6
6t7a 3 P04908 94.31 5e-79 EM
 2020-04-29 HIS C:53 C:31 27.0 0.138 H -63.2 -42.8 27.0 0.138 0.0 DT
DT
DA
DT
DA
DA
DA
DC
DA
 7.815
6.642
9.414
9.825
9.651
6.295
4.108
7.860
9.882
 CB
CB
CD2
NE2
CE1
CE1
CE1
NE2
NE2
 O5'
OP2
N6
O4
O3'
O3'
OP2
C5
N6
HIS G:53 G:31 26.0 0.133 H -63.1 -42.8 26.0 0.133 0.0 DT
DG
DC
DC
DT
DG
DT
DT
 9.179
5.797
3.810
7.695
9.668
8.881
6.803
7.849
 CE1
CE1
NE2
NE2
NE2
N
CB
CD2
 O3'
C3'
OP2
OP2
C7
OP2
OP2
C7
6t7b 3 P04908 94.31 5e-79 EM
 2020-04-29 HIS C:53 C:31 43.0 NA H -63.2 -42.7 43.0 NA NA DT
DT
DA
DA
 7.968
7.558
9.552
7.412
 N
N
O
O
 O5'
OP2
O3'
OP1
HIS G:53 G:31 42.0 NA H -63.2 -42.7 42.0 NA NA DG
DC
DC
DG
DT
 9.288
7.198
9.542
8.880
7.630
 O
O
O
N
N
 O3'
OP2
OP2
OP2
OP2
6t7c 3 P04908 94.31 5e-79 EM
 2020-04-29 HIS C:53 C:31 26.0 0.133 H -62.6 -42.8 26.0 0.133 0.0 DT
DT
DA
DT
DA
DA
DA
DC
DA
 7.852
6.702
9.461
9.867
9.585
6.291
4.127
7.908
9.828
 CB
CB
CD2
NE2
CE1
CE1
CE1
NE2
NE2
 O5'
OP2
N6
O4
O3'
O3'
OP2
C5
N6
HIS G:53 G:31 27.0 0.138 H -62.6 -42.7 27.0 0.138 0.0 DT
DG
DC
DC
DT
DG
DT
DT
 9.161
5.806
3.834
7.710
9.574
8.750
6.741
7.997
 CE1
CE1
NE2
NE2
NE2
N
CB
CD2
 O3'
C3'
OP2
OP2
O4
OP2
OP2
C7
6t7d 3 P04908 94.31 5e-79 EM
 2020-04-29 HIS C:53 C:31 44.0 NA H -66.6 -49.7 44.0 NA NA DT
DT
DT
DA
DA
 9.102
6.736
7.284
9.420
7.683
 C
C
N
O
O
 O3'
OP2
OP2
C3'
OP1
HIS G:53 G:31 44.0 NA H -66.6 -49.7 44.0 NA NA DG
DC
DT
DT
 9.069
9.647
8.188
8.305
 O
O
N
CA
 C3'
OP2
OP1
OP2
5gsu 3 Q96QV6 93.44 6e-79 X-RAY
 2017-02-15 HIS E:31 C:33 24.0 0.123 H -72.5 -40.2 24.0 0.123 0.0 DA
DA
DA
DA
DT
DA
DC
HOH
 9.026
6.726
6.704
8.999
6.516
4.753
9.031
8.068
 N
C
CB
NE2
NE2
CE1
CE1
NE2
 O3'
OP2
OP2
O3'
C3'
OP2
OP2
O
HIS F:31 G:33 13.0 0.067 H -75.2 -39.6 13.0 0.067 0.0 DA
DA
DT
DA
DA
DA
DG
DT
CL
 9.234
6.355
4.854
9.917
8.522
6.418
6.453
8.578
8.259
 CE1
NE2
NE2
NE2
C
N
CB
ND1
CE1
 O3'
C3'
OP2
OP2
O3'
OP1
OP2
C7
CL
5gt0 3 Q96QV6 93.44 6e-79 X-RAY
 2017-02-15 HIS E:31 C:31 19.0 0.097 H -67.5 -47.0 19.0 0.097 0.0 DA
DA
DA
DA
DT
DA
DC
MN
HOH
 8.830
6.475
6.502
9.307
6.468
4.344
9.075
8.312
3.732
 C
C
CB
NE2
CE1
CE1
NE2
NE2
CB
 O3'
OP2
OP2
O3'
O3'
OP2
N4
MN
O
HIS F:31 G:31 24.0 0.123 H -67.6 -46.1 24.0 0.123 0.0 DA
DA
DT
DA
DA
DG
DT
MN
HOH
 9.356
7.102
5.682
8.782
6.676
6.326
9.566
9.521
7.968
 NE2
CE1
CE1
C
N
CB
CD2
NE2
NE2
 O3'
C3'
OP2
O3'
OP1
OP2
C7
MN
O
7jzv 3 Q6FI13 95.08 6e-79 EM
 2021-02-17 HIS C:35 N:31 53.0 0.272 H -54.7 -51.7 53.0 0.272 0.0 DG
DG
DA
DC
DT
DA
DG
DT
 8.693
6.606
5.897
9.659
6.260
4.326
8.302
9.605
 C
C
CB
CE1
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
O3'
C3'
OP2
N7
C7
HIS I:35 n:31 32.0 0.164 H -59.5 -47.5 32.0 0.164 0.0 DC
DG
DA
DC
DC
DA
DA
DT
DT
 9.099
6.472
4.503
8.290
9.713
8.841
6.750
6.486
8.680
 CE1
CE1
NE2
NE2
NE2
C
N
CB
CD2
 O3'
C3'
OP2
C5
N4
O3'
OP1
OP2
C7
6ftx 3 P06897 89.15 6e-79 EM
 2018-08-08 HIS C:32 C:31 44.0 0.226 H -60.8 -41.1 44.0 0.226 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
 9.547
6.743
5.048
8.319
9.760
9.472
6.872
4.616
9.044
 C
ND1
ND1
CE1
CE1
NE2
NE2
NE2
CE1
 O3'
C3'
OP2
C7
O6
O3'
C3'
OP2
N4
HIS G:32 G:31 35.0 0.179 H -58.3 -46.8 35.0 0.179 0.0 DT
DA
DG
DT
DG
DA
DG
DA
 4.922
2.524
7.467
8.261
7.696
6.837
9.788
9.766
 NE2
NE2
CE1
CE1
N
ND1
CE1
CE1
 O3'
OP1
N7
O4
OP2
OP2
O6
N6
6g0l 5 P06897 89.15 6e-79 EM
 2018-08-22 HIS G:32 G:31 36.0 0.185 H -58.3 -46.8 36.0 0.185 0.0 DT
DA
DG
DT
DG
DG
DA
DG
DA
DC
 6.514
4.371
7.718
7.894
8.239
6.179
5.072
8.438
8.406
9.921
 NE2
NE2
CE1
CE1
C
C
ND1
CE1
CE1
CE1
 O3'
OP2
N7
O4
O3'
OP2
OP2
O6
N6
N4
6ne3 3 P06897 89.15 6e-79 EM
 2019-07-17 HIS C:32 C:31 20.0 0.103 H -62.6 -41.2 20.0 0.103 0.0 DT
DT
DG
DT
DA
DC
DG
 9.188
7.069
6.297
9.069
6.177
4.497
8.970
 C
C
CB
NE2
CE1
CE1
CE1
 O3'
OP1
OP2
O3'
C3'
OP2
N7
HIS G:32 G:31 37.0 0.19 H -68.3 -40.5 37.0 0.19 0.0 DA
DG
DT
DC
DT
DC
DT
DG
 9.146
5.707
4.052
8.768
9.430
9.134
7.116
6.335
 CE1
CE1
NE2
NE2
NE2
C
C
CB
 O3'
C3'
OP2
OP2
C7
O3'
OP1
OP2
6jr0 3 P04908 93.5 6e-79 X-RAY
 2019-10-02 HIS C:35 C:31 26.0 0.133 H -63.9 -44.6 26.0 0.133 0.0 DA
DA
DT
DA
DA
DA
DG
DT
CL
HOH
 9.243
6.769
4.777
9.891
8.790
6.533
6.764
9.371
8.331
4.859
 CE1
NE2
NE2
NE2
C
N
CB
ND1
CE1
ND1
 O3'
O3'
OP2
OP2
O3'
OP1
OP2
C7
CL
O
HIS G:35 G:31 30.0 0.154 H -62.9 -46.9 30.0 0.154 0.0 DA
DA
DA
DA
DT
DA
DC
CL
HOH
 8.994
6.955
6.435
9.806
6.513
4.368
8.483
9.044
3.427
 C
C
CB
CE1
NE2
NE2
CE1
CE1
CE1
 O3'
OP1
OP2
O3'
O3'
OP2
C5
CL
O
6se0 3 Q6FI13 95.08 7e-79 EM
 2019-08-14 HIS C:31 C:31 44.0 0.226 H -66.8 -38.0 44.0 0.226 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 8.453
6.458
5.931
8.072
9.745
9.963
6.749
4.865
7.973
9.086
 C
C
ND1
ND1
CE1
NE2
NE2
NE2
CE1
CE1
 O3'
OP2
OP2
C7
O6
O3'
C3'
OP2
C5
N4
7a08 4 Q93077 95.9 8e-79 EM
 2020-09-23 HIS D:31 b:31 23.0 0.118 H -63.3 -42.3 23.0 0.118 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 9.153
7.112
6.733
9.222
9.336
6.061
4.208
8.626
 C
C
CB
ND1
CE1
NE2
NE2
CE1
 O3'
OP1
OP2
C7
O3'
O3'
OP2
C5
HIS H:31 f:31 28.0 0.144 H -61.2 -44.5 28.0 0.144 0.0 DC
DT
DA
DG
DG
DG
DA
 9.444
6.160
4.491
9.323
9.026
6.836
6.463
 CE1
NE2
NE2
CE1
C
C
ND1
 O3'
C3'
OP2
N7
O3'
OP1
OP2
2rvq 1 P04908 94.31 9e-79 NMR
 2016-05-25 HIS A:35 C:31 47.0 0.241 H -50.6 -48.2 47.0 0.241 0.0
6jr1 3 P04908 92.68 1e-78 X-RAY
 2019-10-02 HIS C:35 C:31 34.0 0.174 H -59.9 -46.9 34.0 0.174 0.0 DA
DA
DA
DT
DA
DC
CL
HOH
 9.029
7.029
6.293
6.453
4.402
8.482
9.410
3.144
 C
C
ND1
NE2
NE2
CE1
CE1
CE1
 O3'
OP1
OP2
O3'
OP2
C5
CL
O
HIS G:35 G:31 30.0 0.154 H -61.4 -46.2 30.0 0.154 0.0 DA
DA
DT
DA
DA
DG
DT
CL
HOH
 9.366
6.916
5.081
8.897
6.746
6.542
9.205
8.486
3.364
 CE1
NE2
NE2
C
N
CB
ND1
CE1
NE2
 O3'
O3'
OP2
O3'
OP1
OP2
C7
CL
O
6fml 11 P0C0S9 95.08 1e-78 EM
 2018-04-25 HIS O:31 O:31 56.0 0.287 H -63.2 -42.4 56.0 0.287 0.0 DC
DG
DA
DC
DA
DA
DT
DT
DG
 9.513
6.097
4.063
8.404
8.839
6.798
5.935
8.466
9.277
 NE2
NE2
NE2
CE1
C
C
ND1
ND1
CE1
 O3'
C3'
OP2
N4
O3'
OP2
OP2
C7
O6
HIS S:31 S:31 34.0 0.174 H -60.9 -44.9 34.0 0.174 0.0 DG
DG
DA
DC
DT
DA
DG
DT
 8.765
6.607
6.284
9.061
6.073
4.243
8.652
9.402
 C
C
CB
NE2
NE2
CE1
CE1
CE1
 O3'
OP1
OP2
O3'
C3'
OP2
N7
O4
6x59 3 P0C0S8 95.08 1e-78 EM
 2020-09-16 HIS C:31 C:31 23.0 0.118 H -60.3 -42.8 23.0 0.118 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 9.235
7.121
6.459
9.022
9.563
6.364
4.608
8.907
 C
C
CB
CD2
NE2
CE1
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
N4
HIS G:31 G:31 26.0 0.133 H -57.8 -48.1 26.0 0.133 0.0 DC
DT
DA
DG
DG
DG
DA
 9.584
6.467
4.510
9.139
9.281
7.171
6.477
 CE1
CE1
NE2
NE2
C
C
CD2
 O3'
C3'
OP2
N7
O3'
OP2
OP2
6x5a 3 P0C0S8 95.08 1e-78 EM
 2020-09-16 HIS C:31 C:31 27.0 0.138 H -60.0 -43.7 27.0 0.138 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.752
6.734
6.041
9.102
9.107
6.544
4.807
8.849
9.965
 C
CB
CB
CD2
CE1
NE2
NE2
NE2
NE2
 O3'
O5'
OP2
C7
O3'
C3'
OP2
N4
N4
HIS G:31 G:31 27.0 0.138 H -57.2 -48.3 27.0 0.138 0.0 DC
DT
DA
DG
DG
DG
DA
 9.072
6.373
4.490
9.257
8.917
6.712
6.308
 CE1
NE2
NE2
NE2
C
C
CB
 O3'
C3'
OP2
N7
O3'
OP2
OP2
6xjd 3 P0C0S8 95.08 1e-78 EM
 2020-09-16 HIS C:31 C:31 33.0 0.169 H -63.7 -32.0 33.0 0.169 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 8.206
6.040
7.044
9.239
9.090
5.829
4.526
8.564
 C
C
CB
CD2
NE2
NE2
NE2
NE2
 O3'
OP1
OP2
C7
O3'
C3'
OP2
C5
HIS G:31 G:31 32.0 0.164 H -54.0 -36.6 32.0 0.164 0.0 DC
DT
DA
DG
DG
DG
DA
 7.412
5.060
5.112
9.506
8.591
6.512
6.632
 NE2
NE2
NE2
NE2
C
C
CB
 O3'
O5'
OP1
N7
O3'
OP2
OP2
7e8d 3 P0C0S8 95.08 1e-78 EM
 2021-11-10 HIS C:31 C:31 28.0 0.144 H -61.2 -42.7 28.0 0.144 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.396
6.265
4.405
8.680
9.588
8.906
6.500
6.392
 CE1
CE1
NE2
NE2
NE2
C
C
CB
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
HIS G:31 G:31 26.0 0.133 H -61.8 -44.3 26.0 0.133 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.934
6.899
6.436
8.882
9.281
6.339
4.497
8.359
9.624
 C
C
CB
CD2
CE1
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
N4
7jo9 3 P0C0S8 95.08 1e-78 EM
 2020-09-16 HIS C:31 C:31 29.0 0.149 H -63.0 -42.8 29.0 0.149 0.0 DG
DG
DA
DC
DT
DA
DG
 9.298
6.860
6.738
9.688
6.800
4.794
9.278
 C
C
CB
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
O3'
C3'
OP2
OP2
HIS G:31 G:31 29.0 0.149 H -63.1 -42.8 29.0 0.149 0.0 DC
DG
DA
DC
DA
DA
DT
 9.668
6.578
4.573
9.018
9.345
7.297
6.807
 CE1
CE1
NE2
NE2
C
C
CB
 O3'
C3'
OP2
C5
O3'
OP1
OP2
7joa 3 P0C0S8 95.08 1e-78 EM
 2020-09-16 HIS C:31 C:31 31.0 0.159 H -63.7 -41.9 31.0 0.159 0.0 DG
DG
DA
DC
DT
DA
DG
 9.256
6.807
6.815
9.850
6.863
4.807
9.405
 C
C
CB
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
O3'
C3'
OP2
OP2
HIS G:31 G:31 31.0 0.159 H -63.7 -41.9 31.0 0.159 0.0 DC
DG
DA
DC
DA
DA
DT
 9.570
6.565
4.576
9.180
9.467
7.442
6.889
 CE1
CE1
NE2
NE2
C
C
CB
 O3'
C3'
OP2
C5
O3'
OP2
OP2
2f8n 7 Q8CGP6 94.31 2e-78 X-RAY
 2006-05-23 HIS J:51 K:31 17.0 0.087 H -62.0 -49.4 17.0 0.087 0.0 DA
DA
DA
DA
DT
DA
DC
HOH
 8.860
6.380
6.716
9.529
6.851
5.096
9.443
8.244
 C
C
CD2
NE2
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
O3'
O3'
OP2
C5
O
7bg9 4 B2R5B3 94.31 2e-78 EM
 2021-04-28 ARG D:32 L:32 85.0 0.378 H -69.0 -29.2 85.0 0.378 0.0 C
C
G
C
 9.997
6.356
3.881
7.589
 NE
NH2
NH2
NH2
 OP1
O3'
OP1
OP2
6w5i 7 Q6AZJ8 89.06 2e-78 EM
 2021-03-31 HIS G:34 I:31 32.0 0.164 H -65.0 -47.4 32.0 0.164 0.0 DT
DA
DG
DT
DG
DG
DA
DG
DA
 6.561
4.441
8.327
9.112
8.283
5.899
6.464
9.905
9.949
 CE1
CE1
NE2
NE2
N
C
CB
NE2
NE2
 O3'
OP2
N7
C7
O3'
OP1
OP2
O6
N6
HIS K:34 M:31 35.0 0.179 H -59.5 -30.1 35.0 0.179 0.0 DA
DA
DT
DT
DG
DA
DC
DC
 8.329
5.939
6.779
9.353
6.204
5.190
8.300
9.403
 C
C
CB
CD2
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
C7
C3'
OP1
C5
N4
3c1b 3 P06897 89.06 3e-78 X-RAY
 2008-10-07 HIS C:31 C:831 12.0 0.062 H -62.3 -44.6 12.0 0.062 0.0 DA
DA
DG
DT
DA
DA
DT
HOH
 9.024
6.798
6.892
9.759
9.087
6.779
5.166
3.886
 N
C
CB
CD2
NE2
NE2
CE1
CB
 O3'
OP2
OP2
C7
O3'
C3'
OP2
O
HIS G:31 G:1031 15.0 0.077 H -58.2 -49.0 15.0 0.077 0.0 DA
DA
DT
DA
DA
DG
DT
HOH
 9.056
6.779
5.292
8.860
6.522
6.871
8.797
4.127
 NE2
CE1
CE1
N
C
CB
CD2
CD2
 O3'
C3'
OP2
O3'
OP2
OP2
C7
O
3c1c 3 P06897 89.06 3e-78 X-RAY
 2008-10-07 HIS C:31 C:831 15.0 0.077 H -65.8 -39.3 15.0 0.077 0.0 DA
DA
DG
DT
DA
DA
DT
DA
HOH
 9.431
7.127
6.797
9.437
9.462
7.043
4.884
9.958
8.201
 N
C
CB
CD2
CE1
CE1
NE2
NE2
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
N7
O
HIS G:31 G:1031 19.0 0.097 H -62.2 -50.7 19.0 0.097 0.0 DA
DA
DT
DA
DA
DG
DT
HOH
 9.299
6.986
5.183
8.464
6.156
6.457
9.541
4.099
 NE2
NE2
CE1
C
C
CB
CD2
CD2
 O3'
C3'
OP2
O3'
OP2
OP2
C7
O
5gt3 3 P20671 94.26 3e-78 X-RAY
 2017-02-15 HIS C:31 C:31 30.0 0.154 H -67.0 -43.3 30.0 0.154 0.0 DA
DA
DA
DA
DT
DA
DC
HOH
 8.864
6.495
6.717
9.160
6.380
4.713
9.640
2.781
 C
C
CB
CE1
NE2
NE2
CE1
NE2
 O3'
OP2
OP2
O3'
C3'
OP2
C5
O
HIS G:31 G:31 19.0 0.097 H -67.9 -45.0 19.0 0.097 0.0 DA
DA
DT
DA
DA
DA
DG
DT
MN
 9.409
6.607
4.655
9.112
8.611
6.196
6.759
9.153
8.421
 CE1
NE2
NE2
NE2
C
C
CB
ND1
CE1
 O3'
O3'
OP2
OP2
O3'
OP2
OP2
C7
MN
1zbb 5 P06897 89.06 4e-78 X-RAY
 2005-07-12 HIS E:31 C:31 14.0 0.072 H -64.3 -45.0 14.0 0.072 0.0 DA
DA
DT
DA
DA
DG
DT
 8.853
6.882
5.327
9.014
6.641
6.903
9.393
 NE2
NE2
CE1
N
N
CB
CD2
 O3'
O5'
OP2
O3'
OP2
OP2
C7
HIS I:31 G:31 14.0 0.072 H -62.9 -49.1 14.0 0.072 0.0 DA
DA
DG
DT
DA
DA
DT
 8.834
6.675
6.826
9.251
8.798
6.718
5.192
 N
C
CB
CD2
NE2
NE2
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
HIS M:31 c:31 14.0 0.072 H -64.1 -45.1 14.0 0.072 0.0 DA
DA
DT
DA
DA
DG
DT
 8.855
6.885
5.330
9.014
6.643
6.901
9.388
 NE2
NE2
CE1
N
N
CB
CD2
 O3'
O5'
OP2
O3'
OP2
OP2
C7
HIS Q:31 g:31 13.0 0.067 H -62.8 -49.3 13.0 0.067 0.0 DA
DA
DG
DT
DA
DA
DT
 8.836
6.679
6.827
9.252
8.796
6.716
5.191
 N
C
CB
CD2
NE2
NE2
CE1
 O3'
OP2
OP2
C7
O3'
O5'
OP2
2fj7 5 30268540 89.06 4e-78 X-RAY
 2006-09-26 HIS E:31 C:31 23.0 0.118 H -82.4 -62.2 23.0 0.118 0.0 DA
DA
DT
DA
DA
DA
DG
DT
 9.395
6.922
5.097
8.964
8.696
6.445
6.724
9.418
 NE2
NE2
CE1
CE1
N
N
CB
CD2
 O3'
C3'
OP1
OP2
O3'
OP1
OP2
C7
HIS I:31 G:31 48.0 0.246 H -68.8 -14.3 48.0 0.246 0.0 DA
DA
DG
DT
DT
DT
DG
DA
 9.358
7.038
6.239
9.944
8.809
5.789
3.814
7.571
 N
C
CB
NE2
NE2
CE1
CE1
CE1
 O3'
OP2
OP2
C7
O3'
O3'
OP2
OP2
3kxb 3 Q6AZJ8 89.06 4e-78 X-RAY
 2010-06-23 HIS C:31 C:31 15.0 0.077 H -63.4 -40.8 15.0 0.077 0.0 DA
DA
DG
DT
DA
DA
DT
HOH
 9.001
6.654
6.910
9.746
9.167
6.918
5.089
8.720
 N
C
CB
CD2
NE2
CE1
CE1
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
O
HIS G:31 G:31 62.0 0.318 H -62.5 -48.2 62.0 0.318 0.0 DA
DA
DT
DA
DA
DG
DT
HOH
 8.899
6.741
5.200
9.088
6.633
6.965
9.335
7.586
 NE2
CE1
CE1
C
C
CB
CD2
NE2
 O3'
C3'
OP2
O3'
OP2
OP2
C7
O
3lja 3 Q6AZJ8 89.06 4e-78 X-RAY
 2010-04-14 HIS C:31 C:31 14.0 0.072 H -54.5 -40.0 14.0 0.072 0.0 DA
DA
DG
DT
DA
DA
DT
SO4
 8.930
6.545
6.802
9.303
9.145
7.145
5.278
7.976
 N
C
CB
CD2
NE2
NE2
CE1
NE2
 O3'
OP2
OP2
C7
O3'
OP2
OP2
O2
HIS G:31 G:31 15.0 0.077 H -55.6 -47.5 15.0 0.077 0.0 DA
DA
DT
DA
DA
DA
DG
DT
SO4
 8.955
6.614
4.804
9.972
8.986
6.525
6.632
9.148
7.912
 NE2
CE1
CE1
CE1
N
C
CB
NE2
NE2
 O3'
O3'
OP2
OP2
O3'
OP2
OP2
C7
O2
3mvd 3 Q6AZJ8 89.06 4e-78 X-RAY
 2010-08-25 HIS C:31 C:31 30.0 0.154 H -61.8 -42.1 30.0 0.154 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
 9.295
6.237
4.276
8.116
8.805
9.096
6.937
6.309
9.552
 CE1
CE1
NE2
NE2
NE2
C
N
CB
NE2
 O3'
C3'
OP2
N7
O4
O3'
OP1
OP2
O6
HIS G:31 G:31 20.0 0.103 H -56.6 -41.5 20.0 0.103 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 9.175
7.071
6.326
9.204
9.155
6.115
4.164
8.174
9.697
 C
N
CB
NE2
CE1
CE1
NE2
NE2
NE2
 O3'
OP1
OP2
C7
O3'
C3'
OP2
C5
N4
3reh 3 P06897 89.06 4e-78 X-RAY
 2012-03-14 HIS C:31 C:31 15.0 0.077 H -62.2 -45.2 15.0 0.077 0.0 DA
DA
DG
DT
DA
DA
DT
SO4
 8.869
6.570
6.757
9.166
8.923
6.903
5.237
8.046
 N
N
CB
CD2
NE2
CE1
CE1
NE2
 O3'
OP2
OP2
C7
O3'
O3'
OP2
O1
HIS G:31 G:31 18.0 0.092 H -60.8 -50.0 18.0 0.092 0.0 DA
DA
DT
DA
DA
DA
DG
DT
SO4
HOH
 9.315
7.162
5.279
9.930
8.498
6.664
7.110
9.129
8.438
5.054
 NE2
CE1
CE1
CE1
C
CB
CB
CD2
NE2
O
 O3'
O3'
OP2
OP2
O3'
OP2
OP1
C7
O2
O
3rei 3 P06897 89.06 4e-78 X-RAY
 2012-03-14 HIS C:31 C:31 16.0 0.082 H -67.2 -40.4 16.0 0.082 0.0 DA
DA
DG
DT
DA
DA
DT
SO4
PT
 8.838
6.568
6.555
9.143
9.227
6.727
5.123
8.258
8.471
 N
C
CB
CD2
NE2
CE1
CE1
NE2
CD2
 O3'
OP2
OP2
C7
O3'
O3'
OP2
O1
PT
HIS G:31 G:31 21.0 0.108 H -61.5 -48.2 21.0 0.108 0.0 DA
DA
DT
DA
DA
DA
DG
DT
SO4
PT
 9.362
6.950
5.163
9.841
8.333
6.661
6.546
9.266
8.497
8.522
 NE2
NE2
CE1
CE1
C
CB
CB
CD2
NE2
NE2
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
C7
O2
PT
3rej 3 P06897 89.06 4e-78 X-RAY
 2012-03-14 HIS C:31 C:31 16.0 0.082 H -66.7 -51.3 16.0 0.082 0.0 DG
DA
DA
DC
DA
DC
DT
SO4
HOH
 8.933
6.906
5.952
9.384
6.578
4.691
7.575
8.752
5.171
 C
C
CD2
CE1
CE1
CE1
NE2
CE1
CD2
 O3'
OP2
OP2
O3'
C3'
OP2
C7
O4
O
HIS G:31 G:31 25.0 0.128 H -64.1 -45.8 25.0 0.128 0.0 DA
DC
DA
DC
DT
DA
DA
DA
SO4
HOH
 9.422
6.334
4.623
9.019
9.978
8.899
6.741
6.151
8.703
4.366
 NE2
CE1
CE1
NE2
NE2
C
C
CD2
NE2
CD2
 O3'
C3'
OP2
C5
O4
O3'
OP2
OP2
O3
O
3rek 3 P06897 89.06 4e-78 X-RAY
 2012-03-14 HIS C:31 C:31 16.0 0.082 H -68.5 -46.0 16.0 0.082 0.0 DG
DA
DA
DC
DA
DC
DT
SO4
 8.849
6.658
6.008
9.372
6.510
4.607
7.480
8.679
 C
C
CD2
CE1
CE1
CE1
NE2
CE1
 O3'
OP2
OP2
O3'
C3'
OP2
C7
O4
HIS G:31 G:31 24.0 0.123 H -64.7 -46.0 24.0 0.123 0.0 DA
DC
DA
DC
DA
DA
DA
SO4
 9.488
6.349
4.796
9.153
8.952
6.691
6.003
8.838
 NE2
CE1
CE1
NE2
C
C
CD2
NE2
 O3'
C3'
OP2
C5
O3'
OP2
OP2
O3
3rel 3 P06897 89.06 4e-78 X-RAY
 2012-03-14 HIS C:31 C:31 14.0 0.072 H -67.8 -45.8 14.0 0.072 0.0 DG
DA
DA
DC
DA
DC
DT
SO4
 8.971
6.757
6.349
9.377
6.357
4.553
7.049
8.737
 C
C
CD2
CE1
CE1
CE1
NE2
ND1
 O3'
OP2
OP2
O3'
C3'
OP2
C7
O4
HIS G:31 G:31 29.0 0.149 H -66.7 -46.0 29.0 0.149 0.0 DA
DC
DA
DC
DT
DA
DA
DA
DA
SO4
 9.608
6.388
4.792
8.739
9.727
9.147
6.887
5.857
9.790
8.666
 NE2
CE1
CE1
NE2
NE2
C
C
CD2
NE2
CE1
 O3'
C3'
OP2
C5
O4
O3'
OP2
OP2
N6
O3
3tu4 3 Q6AZJ8 89.06 4e-78 X-RAY
 2011-11-23 HIS C:31 C:31 25.0 0.128 H -63.9 -40.5 25.0 0.128 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.230
5.973
4.238
8.860
9.973
9.030
6.842
6.248
 NE2
NE2
NE2
CE1
CE1
C
N
ND1
 O3'
O3'
OP2
N7
O4
O3'
OP1
OP2
HIS G:31 G:31 23.0 0.118 H -63.4 -49.5 23.0 0.118 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 9.219
7.083
6.356
9.668
8.822
6.000
4.213
8.920
 C
C
CB
NE2
NE2
NE2
CE1
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
3ut9 3 Q6AZJ8 89.06 4e-78 X-RAY
 2012-04-11 HIS C:31 C:31 27.0 0.138 H -68.2 -41.3 27.0 0.138 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
CL
MN
HOH
 9.184
6.997
6.373
8.728
9.787
9.128
6.012
4.413
8.391
9.237
8.293
9.743
7.168
 C
C
CB
ND1
CE1
NE2
NE2
CE1
CE1
CE1
NE2
CE1
O
 O3'
OP2
OP2
C7
O6
O3'
C3'
OP2
C5
N4
CL
MN
O
HIS G:31 G:31 22.0 0.113 H -74.3 -34.0 22.0 0.113 0.0 DC
DG
DA
DC
DC
DA
DA
DT
DT
DG
CL
 9.100
5.957
4.596
8.395
9.828
9.116
6.924
6.500
8.334
9.946
8.265
 NE2
NE2
CE1
CE1
CE1
C
N
CB
ND1
CE1
NE2
 O3'
C3'
OP2
C5
N4
O3'
OP1
OP2
C7
O6
CL
3uta 3 Q6AZJ8 89.06 4e-78 X-RAY
 2012-04-11 HIS C:31 C:31 12.0 0.062 H -58.6 -43.7 12.0 0.062 0.0 DA
DA
DG
DT
DA
DA
DT
CL
 9.051
6.646
6.553
8.952
9.329
6.782
5.051
8.444
 C
C
CB
CD2
NE2
CE1
CE1
CE1
 O3'
OP2
OP2
C7
O3'
O3'
OP2
CL
HIS G:31 G:31 20.0 0.103 H -66.3 -51.5 20.0 0.103 0.0 DA
DT
DA
DC
DA
DA
DA
CL
 9.689
6.606
4.878
9.199
8.641
6.178
6.186
8.661
 NE2
CE1
CE1
NE2
C
C
CB
NE2
 O3'
C3'
OP2
C5
O3'
OP2
OP2
CL
3utb 3 Q6AZJ8 89.06 4e-78 X-RAY
 2012-04-11 HIS C:31 C:31 12.0 0.062 H -66.0 -45.9 12.0 0.062 0.0 DG
DA
DA
DC
DA
DC
DT
SO4
HOH
 9.031
6.778
6.185
9.290
6.518
5.161
7.803
7.633
7.088
 C
C
CD2
NE2
CE1
NE2
NE2
CE1
N
 O3'
OP2
OP2
O3'
C3'
OP2
C7
O4
O
HIS G:31 G:31 25.0 0.128 H -58.8 -50.2 25.0 0.128 0.0 DA
DC
DA
DC
DA
DA
DA
DA
SO4
HOH
 9.694
6.280
4.742
8.745
8.926
6.684
6.286
9.976
7.294
7.317
 CE1
CE1
NE2
NE2
C
C
CD2
CD2
CE1
N
 O3'
C3'
OP2
C5
O3'
OP2
OP2
N6
O3
O
4r8p 3 Q6AZJ8 89.06 4e-78 X-RAY
 2014-11-05 HIS C:31 C:31 55.0 0.282 H -63.3 -42.5 55.0 0.282 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
 8.816
6.841
5.967
8.587
9.261
9.428
6.019
4.096
8.593
 C
C
ND1
ND1
CE1
NE2
NE2
NE2
CE1
 O3'
OP2
OP2
C7
O6
O3'
C3'
OP2
N4
HIS G:31 G:31 33.0 0.169 H -60.9 -45.2 33.0 0.169 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 8.991
6.049
4.174
8.601
9.303
9.093
6.992
6.430
 NE2
NE2
CE1
CE1
CE1
C
N
CB
 O3'
C3'
OP2
N7
O4
O3'
OP1
OP2
4wu8 5 P06897 89.06 4e-78 X-RAY
 2015-09-02 HIS E:31 C:31 12.0 0.062 H -70.5 -44.8 12.0 0.062 0.0 DA
DA
DG
DT
DA
DA
DT
SO4
 8.765
6.571
6.744
9.011
9.106
6.724
5.487
8.034
 N
C
CD2
CD2
NE2
CE1
CE1
NE2
 O3'
OP2
OP2
C7
O3'
O3'
OP2
O1
HIS I:31 G:31 12.0 0.062 H -72.0 -42.3 12.0 0.062 0.0 DA
DA
DT
DA
DA
DG
DT
SO4
 9.317
6.583
4.843
8.660
6.227
6.448
8.929
8.066
 NE2
CE1
CE1
C
C
CB
CD2
NE2
 O3'
O3'
OP2
O3'
OP2
OP2
C7
O2
4wu9 3 P06897 89.06 4e-78 X-RAY
 2015-09-02 HIS C:31 C:31 13.0 0.067 H -67.9 -54.7 13.0 0.067 0.0 DA
DA
DG
DT
DA
DA
DT
SO4
 8.805
6.338
6.735
9.024
9.452
6.514
5.232
8.217
 C
C
CB
CD2
NE2
CE1
CE1
NE2
 O3'
OP2
OP2
C7
O3'
O3'
OP2
O1
HIS G:31 G:31 13.0 0.067 H -62.9 -45.0 13.0 0.067 0.0 DA
DA
DT
DA
DA
DG
DT
SO4
 9.567
6.932
5.034
8.580
6.190
6.300
8.696
8.675
 NE2
CE1
CE1
C
C
CD2
CD2
CE1
 O3'
C3'
OP2
O3'
OP2
OP2
C7
O3
5f99 3 P06897 89.06 4e-78 X-RAY
 2016-02-03 HIS C:31 C:31 28.0 0.144 H -63.3 -53.7 28.0 0.144 0.0 DT
DG
DT
DA
DA
DA
DC
CL
HOH
 9.190
7.062
6.284
8.952
5.980
4.532
9.733
8.002
3.936
 C
C
CB
NE2
CE1
CE1
CE1
NE2
CB
 O3'
OP2
OP2
O3'
C3'
OP2
C5
CL
O
HIS G:31 G:31 20.0 0.103 H -68.4 -25.4 20.0 0.103 0.0 DC
DG
DA
DC
DT
DG
DA
CL
HOH
 8.906
5.502
4.386
9.056
9.223
6.973
6.439
8.376
3.578
 CE1
NE2
NE2
CE1
C
C
ND1
NE2
CB
 O3'
C3'
OP1
N4
O3'
OP2
OP2
CL
O
5hq2 3 Q6AZJ8 89.06 4e-78 X-RAY
 2016-03-23 HIS C:31 G:31 50.0 NA H -65.0 -25.3 50.0 NA NA DG
DG
DA
DG
DA
 8.770
6.815
5.561
8.729
6.408
 C
C
CB
O
O
 O3'
OP2
OP2
O3'
OP2
5nl0 3 P06897 89.06 4e-78 X-RAY
 2017-05-17 HIS C:31 C:31 24.0 0.123 H -67.7 -41.3 24.0 0.123 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.965
6.788
6.505
9.009
9.448
6.276
4.402
8.587
9.556
 C
C
CB
CD2
CE1
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
N4
HIS G:31 G:31 25.0 0.128 H -68.0 -41.3 25.0 0.128 0.0 DC
DG
DA
DC
DC
DA
DA
DT
DT
 9.313
6.033
4.543
8.301
9.751
8.985
6.825
6.705
8.639
 NE2
NE2
CE1
CE1
CE1
C
N
CB
ND1
 O3'
C3'
OP2
C5
N4
O3'
OP1
OP2
C7
HIS M:31 M:31 25.0 0.128 H -67.5 -41.4 NA NA NA
5ong 5 Q6AZJ8 89.06 4e-78 X-RAY
 2017-11-22 HIS E:31 C:31 11.0 0.056 H -64.2 -55.7 11.0 0.056 0.0 DA
DA
DG
DT
DA
DA
DT
CL
HOH
 8.852
6.587
6.692
9.228
9.108
6.837
5.168
8.532
3.164
 N
C
ND1
ND1
CE1
NE2
NE2
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
CL
O
HIS I:31 G:31 18.0 0.092 H -66.9 -50.8 18.0 0.092 0.0 DA
DA
DT
DA
DA
DG
DT
CL
 8.917
6.568
5.012
8.929
6.601
6.662
9.148
8.375
 CE1
NE2
NE2
N
C
ND1
ND1
CE1
 O3'
C3'
OP2
O3'
OP2
OP2
C7
CL
5x0y 3 Q6AZJ8 89.06 4e-78 EM
 2017-04-19 HIS C:31 C:31 32.0 0.164 H -48.1 -49.2 32.0 0.164 0.0 DT
DA
DG
DT
DG
DG
DA
 6.501
4.578
8.170
9.177
9.633
7.458
6.693
 CE1
CE1
NE2
NE2
C
C
CD2
 O3'
OP2
N7
C7
O3'
OP1
OP2
HIS G:31 G:31 33.0 0.169 H -48.1 -49.2 33.0 0.169 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 9.312
7.148
6.741
9.226
9.874
6.410
4.572
8.077
8.981
 N
N
CB
CD2
CE1
CE1
CE1
NE2
NE2
 O3'
OP1
OP2
C7
O3'
C3'
OP2
OP2
N4
5z3l 3 Q6AZJ8 89.06 4e-78 EM
 2019-04-03 HIS C:31 C:31 46.0 0.236 H -70.8 -52.2 46.0 0.236 0.0 DT
DA
DG
DT
DG
DG
 5.607
6.270
9.945
9.921
7.767
5.848
 NE2
NE2
NE2
CE1
CB
ND1
 O3'
O5'
OP2
O4
C3'
OP2
HIS G:31 G:31 31.0 0.159 H -70.9 -52.2 31.0 0.159 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 9.685
7.464
6.680
8.712
9.918
6.151
5.083
9.110
 N
N
CB
ND1
NE2
NE2
NE2
CE1
 O3'
OP1
OP2
C7
O3'
C3'
OP2
C5
5z3o 3 Q6AZJ8 89.06 4e-78 EM
 2019-04-03 HIS C:31 C:31 32.0 0.164 H -68.8 -52.5 32.0 0.164 0.0 DC
DT
DA
DG
DT
DT
DG
DG
DA
 9.781
6.479
4.316
9.491
9.833
9.627
7.394
5.922
8.717
 NE2
NE2
NE2
CE1
CE1
C
CB
ND1
ND1
 O3'
C3'
OP2
N7
O4
O3'
C3'
OP2
OP2
HIS G:31 G:31 30.0 0.154 H -68.8 -52.5 30.0 0.154 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 9.382
6.923
6.480
8.716
9.541
5.991
4.672
9.216
 C
C
ND1
ND1
NE2
NE2
NE2
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
N4
5z3u 4 Q6AZJ8 89.06 4e-78 EM
 2019-05-22 HIS D:31 C:31 31.0 0.159 H -52.7 -41.3 31.0 0.159 0.0 DT
DA
DG
DT
DG
DG
DA
 6.736
4.621
8.429
9.111
8.778
6.591
6.586
 CE1
CE1
NE2
NE2
C
C
CB
 C3'
OP2
N7
C7
O3'
OP1
OP2
HIS H:31 G:31 30.0 0.154 H -52.6 -41.2 30.0 0.154 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 9.164
7.089
7.108
8.912
9.845
6.458
4.583
8.277
9.443
 C
C
CB
CD2
CE1
CE1
NE2
NE2
NE2
 O3'
OP1
OP2
C7
O3'
C3'
OP2
C5
N4
5z3v 4 Q6AZJ8 89.06 4e-78 EM
 2019-05-22 HIS D:31 C:31 28.0 0.144 H -62.5 -43.2 28.0 0.144 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.313
6.178
4.416
8.761
9.665
9.571
7.444
6.571
 CE1
CE1
NE2
NE2
NE2
C
C
CB
 O3'
C3'
OP2
N7
C7
O3'
OP2
OP2
HIS H:31 G:31 28.0 0.144 H -62.4 -43.1 28.0 0.144 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 9.089
6.958
6.522
8.629
9.641
6.351
4.564
8.434
9.600
 C
C
CB
CD2
CE1
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
N4
6esf 3 Q6AZJ8 89.06 4e-78 EM
 2017-12-20 HIS C:31 C:31 37.0 0.19 H -64.9 -40.8 37.0 0.19 0.0 DG
DG
DA
DG
DT
DA
DG
DT
 8.970
6.889
6.161
9.796
6.761
4.587
8.456
9.475
 C
N
CB
CD2
CE1
CE1
NE2
NE2
 O3'
OP1
OP2
N7
C3'
OP2
N7
O4
HIS G:31 G:31 34.0 0.174 H -63.6 -44.8 34.0 0.174 0.0 DC
DG
DA
DC
DA
DA
DT
DT
 9.678
6.838
5.290
9.379
8.953
6.770
6.810
8.530
 CE1
CE1
NE2
NE2
C
N
CB
CD2
 O3'
C3'
OP2
N4
O3'
OP1
OP2
C7
6esg 3 Q6AZJ8 89.06 4e-78 EM
 2017-12-20 HIS C:31 C:31 22.0 0.113 H -65.6 -29.0 22.0 0.113 0.0 DG
DG
DA
DT
DA
DG
 8.738
6.401
4.478
7.410
5.356
9.955
 C
CD2
CD2
CE1
NE2
NE2
 O3'
C3'
OP2
C3'
OP2
N7
HIS G:31 G:31 22.0 0.113 H -64.6 -33.7 22.0 0.113 0.0 DC
DG
DA
DA
DA
DT
DT
 8.037
5.716
5.555
9.929
7.850
7.013
7.831
 CE1
CE1
NE2
N
N
CD2
CD2
 O3'
O5'
OP2
O3'
O5'
OP2
C7
6esh 3 Q6AZJ8 89.06 4e-78 EM
 2017-12-20 HIS C:31 C:31 30.0 0.154 H -62.7 -43.3 30.0 0.154 0.0 DG
DG
DA
DG
DC
DT
DA
 8.837
6.664
5.072
9.890
9.131
6.852
5.321
 C
C
CD2
NE2
CE1
NE2
NE2
 O3'
OP1
OP2
OP2
O3'
C3'
OP2
HIS G:31 G:31 30.0 0.154 H -59.2 -45.7 30.0 0.154 0.0 DG
DA
DC
DA
DA
DT
DT
 7.114
5.249
8.916
9.414
7.329
5.617
8.049
 CE1
NE2
NE2
N
C
CD2
CD2
 C3'
OP2
N4
O3'
OP2
OP2
C7
6esi 3 Q6AZJ8 89.06 4e-78 EM
 2017-12-20 HIS C:31 C:31 34.0 0.174 H -65.4 -36.8 34.0 0.174 0.0 DG
DG
DA
DG
DT
DA
DG
DT
 8.316
5.955
6.340
9.635
8.298
6.020
8.278
9.942
 C
C
CB
CD2
CE1
CE1
NE2
NE2
 O3'
OP1
OP2
N7
O3'
OP2
OP2
C7
HIS G:31 G:31 50.0 0.256 H -61.7 -30.8 50.0 0.256 0.0 DG
DA
DC
DA
DA
DT
DT
 7.709
5.575
7.353
8.851
6.449
6.723
8.223
 CE1
CE1
NE2
C
C
CB
NE2
 O3'
OP1
OP2
O3'
OP2
OP2
C7
6iro 4 Q6AZJ8 89.06 4e-78 EM
 2019-04-03 HIS D:31 C:31 30.0 0.154 H -69.6 -47.4 30.0 0.154 0.0 DT
DA
DG
DT
DG
DG
 6.811
4.785
9.845
9.054
6.615
5.724
 NE2
NE2
CE1
C
C
ND1
 C3'
OP2
N7
O3'
OP2
OP2
HIS H:31 G:31 27.0 0.138 H -70.5 -43.4 27.0 0.138 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 9.397
7.108
6.734
9.157
9.663
6.167
4.829
9.053
 C
C
ND1
ND1
CE1
NE2
NE2
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
6jyl 3 Q6AZJ8 89.06 4e-78 EM
 2019-05-29 HIS C:31 C:31 28.0 0.144 H -67.4 -39.9 28.0 0.144 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.737
6.522
4.611
8.861
9.781
9.114
7.129
6.483
 CE1
CE1
NE2
NE2
NE2
C
C
CB
 O3'
C3'
OP2
N7
C7
O3'
OP1
OP2
HIS G:31 G:31 29.0 0.149 H -65.9 -38.5 29.0 0.149 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 9.224
7.195
6.407
8.918
9.452
6.276
4.428
8.581
9.406
 C
C
CB
CD2
CE1
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
N4
6k1p 3 Q6AZJ8 89.06 4e-78 EM
 2019-05-29 HIS C:31 C:31 35.0 0.179 H -70.1 -35.9 35.0 0.179 0.0 DC
DT
DA
DG
DG
DG
DA
 9.842
6.681
4.830
9.089
9.109
6.934
6.612
 CE1
CE1
NE2
NE2
C
C
CD2
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
HIS G:31 G:31 42.0 0.215 H -69.5 -36.0 42.0 0.215 0.0 DA
DA
DT
DT
DG
DA
DC
DC
 9.327
7.047
6.565
9.057
6.181
4.511
9.124
9.690
 C
C
CB
CD2
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
C7
C3'
OP2
C5
N4
6kiu 3 Q6AZJ8 89.06 4e-78 EM
 2019-09-11 HIS C:31 C:31 35.0 0.179 H -68.6 -37.3 35.0 0.179 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 9.426
7.176
6.825
9.429
9.727
6.506
4.701
8.787
 C
C
CB
CE1
NE2
NE2
CE1
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
HIS G:31 G:31 26.0 0.133 H -70.0 -37.0 26.0 0.133 0.0 DC
DT
DA
DG
DG
DG
DA
 9.970
6.621
4.698
9.357
9.538
7.372
6.633
 NE2
NE2
NE2
CE1
C
C
ND1
 O3'
C3'
OP2
N7
O3'
OP2
OP2
6kiv 3 Q6AZJ8 89.06 4e-78 EM
 2019-09-11 HIS C:31 C:31 41.0 0.21 H -71.7 -31.6 41.0 0.21 0.0 DA
DA
DT
DT
DG
DA
DC
DC
 8.921
6.912
6.526
9.500
6.719
4.742
8.791
9.580
 C
C
CB
CE1
NE2
NE2
CE1
CE1
 O3'
OP1
OP2
C7
C3'
OP2
C5
N4
HIS G:31 G:31 43.0 0.221 H -67.3 -40.8 43.0 0.221 0.0 DT
DA
DG
DT
DG
DG
DA
 6.894
4.680
8.546
9.702
9.300
7.260
6.184
 NE2
NE2
CE1
CE1
C
C
ND1
 C3'
OP2
N7
O4
O3'
OP1
OP2
6kiw 3 Q6AZJ8 89.06 4e-78 EM
 2019-09-11 HIS C:31 C:31 39.0 0.2 H -69.2 -37.9 39.0 0.2 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 9.597
7.486
6.728
9.409
9.946
6.434
4.549
8.741
9.871
 C
C
CB
CE1
NE2
NE2
NE2
CE1
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
N4
HIS G:31 G:31 45.0 0.231 H -66.3 -37.6 45.0 0.231 0.0 DT
DA
DG
DT
DG
DG
DA
 6.719
4.596
9.000
9.652
9.554
7.424
6.505
 NE2
NE2
CE1
CE1
C
C
CB
 C3'
OP2
N7
C7
O3'
OP2
OP2
6kix 3 Q6AZJ8 89.06 4e-78 EM
 2019-09-11 HIS C:31 C:31 47.0 0.241 H -70.3 -32.5 47.0 0.241 0.0 DA
DA
DT
DG
DA
DC
 9.699
7.286
7.292
6.661
4.637
8.475
 C
C
CB
NE2
NE2
CE1
 O3'
OP2
OP2
C3'
OP2
OP2
HIS G:31 G:31 45.0 0.231 H -69.0 -32.3 45.0 0.231 0.0 DT
DA
DG
DG
DG
DA
 6.828
5.064
9.214
9.600
7.581
6.840
 NE2
CE1
CE1
C
C
ND1
 C3'
OP2
N7
O3'
OP2
OP2
6kiz 3 Q6AZJ8 89.06 4e-78 EM
 2019-09-11 HIS C:31 C:31 47.0 0.241 H -68.7 -27.2 47.0 0.241 0.0 DA
DA
DT
DT
DG
DA
DC
 9.520
7.086
6.760
9.657
6.666
4.933
8.535
 C
C
CB
CE1
NE2
NE2
CE1
 O3'
OP2
OP2
C7
C3'
OP2
C5
HIS G:31 G:31 42.0 0.215 H -67.2 -37.0 42.0 0.215 0.0 DC
DT
DA
DG
DG
DG
DA
 9.983
6.596
4.647
9.106
9.967
7.889
7.150
 NE2
NE2
CE1
CE1
C
C
CB
 O3'
C3'
OP2
N7
O3'
OP2
OP2
6nj9 3 P06897 89.06 4e-78 EM
 2019-02-20 HIS C:31 C:31 29.0 0.149 H -57.7 -42.3 29.0 0.149 0.0 DC
DT
DA
DG
DG
DG
DA
 9.583
6.573
4.493
9.349
9.297
7.040
6.622
 CE1
NE2
NE2
NE2
C
C
ND1
 O3'
C3'
OP2
N7
O3'
OP2
OP2
HIS G:31 G:31 28.0 0.144 H -57.7 -42.3 28.0 0.144 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 9.316
7.109
6.627
9.231
9.515
6.428
4.450
9.103
 C
C
ND1
ND1
CE1
NE2
NE2
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
N4
6nn6 3 P06897 89.06 4e-78 EM
 2019-02-13 HIS C:31 C:31 34.0 0.174 H -67.5 -26.7 34.0 0.174 0.0 DA
DA
DT
DT
DG
DA
DC
 9.064
6.990
6.545
8.816
6.924
4.636
8.756
 C
N
CD2
NE2
CE1
CE1
NE2
 O3'
OP1
OP2
C7
O3'
OP2
N4
HIS G:31 G:31 53.0 0.272 H -66.4 -23.9 53.0 0.272 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.521
6.332
4.251
8.672
9.719
9.372
7.108
7.046
 CE1
CE1
CE1
NE2
NE2
C
C
CB
 O3'
C3'
OP2
OP2
O4
O3'
OP2
OP2
6nog 3 P06897 89.06 4e-78 EM
 2019-02-20 HIS E:31 C:31 26.0 0.133 H -62.7 -47.5 26.0 0.133 0.0 DT
DA
DG
DT
DG
DG
DA
 7.453
5.137
8.961
9.617
9.009
6.818
6.325
 NE2
CE1
CE1
CE1
C
C
CB
 C3'
OP2
N7
C7
O3'
OP2
OP2
HIS F:31 G:31 23.0 0.118 H -62.6 -47.1 23.0 0.118 0.0 DA
DA
DT
DT
DG
DA
DC
DC
 8.980
6.777
6.600
9.794
7.166
4.976
8.896
9.958
 C
C
CB
CE1
NE2
CE1
CE1
CE1
 O3'
OP2
OP2
C7
C3'
OP2
C5
N4
6nqa 4 P06897 89.06 4e-78 EM
 2019-02-20 HIS D:31 G:31 22.0 0.113 H -67.0 -43.3 22.0 0.113 0.0 DC
DT
DA
DG
DG
DG
DA
 9.983
7.051
4.771
9.209
9.024
6.995
6.463
 CE1
CE1
NE2
NE2
C
C
CB
 O3'
C3'
OP2
N7
O3'
OP2
OP2
HIS K:31 C:31 28.0 0.144 H -66.7 -46.6 28.0 0.144 0.0 DA
DA
DT
DT
DG
DA
DC
 9.088
6.986
6.703
9.759
6.891
4.676
8.847
 C
C
CB
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
C7
C3'
OP2
C5
6pa7 3 P06897 89.06 4e-78 EM
 2020-06-17 HIS C:31 C:31 25.0 0.128 H -66.6 -42.8 25.0 0.128 0.0 DC
DT
DA
DG
DT
DG
DG
DA
CL
 9.418
5.966
4.792
8.206
9.652
9.080
6.850
6.469
8.902
 CE1
CE1
NE2
NE2
NE2
C
N
CB
CE1
 O3'
C3'
OP2
N7
C7
O3'
OP1
OP2
CL
HIS G:31 G:31 24.0 0.123 H -66.7 -43.0 24.0 0.123 0.0 DA
DA
DT
DT
DC
DG
DA
DC
CL
 9.080
6.747
6.442
8.822
9.215
5.924
4.078
8.481
9.752
 C
C
CB
CD2
CE1
CE1
NE2
NE2
ND1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
CL
6pwv 6 P06897 89.06 4e-78 EM
 2019-12-18 HIS F:31 I:31 32.0 0.164 H -65.0 -47.4 32.0 0.164 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 9.771
6.382
4.223
8.056
8.953
8.266
5.905
6.095
9.650
9.556
 CE1
CE1
CE1
NE2
NE2
N
C
CB
NE2
NE2
 O3'
O3'
OP2
N7
C7
O3'
OP1
OP2
O6
N6
HIS J:31 M:31 34.0 0.174 H -59.5 -30.1 34.0 0.174 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 8.755
6.359
6.537
8.881
9.912
8.984
5.198
4.555
7.773
9.176
 C
C
CB
CD2
NE2
CE1
NE2
NE2
NE2
NE2
 O3'
OP2
OP2
C7
O6
O3'
C3'
OP1
C5
N4
6pww 6 P06897 89.06 4e-78 EM
 2019-12-18 HIS F:31 I:31 36.0 0.185 H -65.2 -48.4 36.0 0.185 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 9.306
6.173
4.102
7.951
9.195
8.373
5.972
5.826
9.736
9.683
 CE1
CE1
CE1
NE2
NE2
C
C
CB
NE2
NE2
 O3'
O3'
OP2
N7
O4
O3'
OP1
OP2
O6
N6
HIS I:31 M:31 24.0 0.123 H -64.8 -34.0 24.0 0.123 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 8.738
6.460
6.655
9.943
8.492
4.909
3.993
8.572
 C
C
CB
CG
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP1
C5
6pwx 4 P06897 89.06 4e-78 EM
 2019-12-18 HIS D:31 I:31 46.0 0.236 H -67.1 -46.2 46.0 0.236 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 9.788
6.580
4.460
8.168
9.071
8.768
6.599
6.119
9.819
9.722
 CE1
CE1
CE1
NE2
NE2
C
C
CD2
NE2
NE2
 O3'
C3'
OP2
N7
C7
O3'
OP2
OP2
O6
N6
HIS G:31 M:31 34.0 0.174 H -63.6 -43.6 34.0 0.174 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.621
6.557
6.089
9.007
9.250
5.373
4.575
7.899
9.616
 C
C
CB
NE2
CE1
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP1
C5
N4
6r1u 3 Q6AZJ8 89.06 4e-78 EM
 2019-04-24 HIS C:31 C:31 38.0 0.195 H -64.9 -40.9 38.0 0.195 0.0 DG
DG
DA
DG
DT
DA
DG
DT
 8.969
6.889
6.161
9.797
6.761
4.587
8.457
9.474
 C
C
CB
CD2
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
N7
C3'
OP2
N7
O4
HIS G:31 G:31 35.0 0.179 H -63.6 -44.8 35.0 0.179 0.0 DC
DG
DA
DC
DA
DA
DT
DT
 9.679
6.839
5.291
9.380
8.952
6.771
6.810
8.530
 CE1
CE1
NE2
NE2
C
N
CB
CD2
 O3'
C3'
OP2
N4
O3'
OP1
OP2
C7
6r25 6 Q6AZJ8 89.06 4e-78 EM
 2019-04-24 HIS F:31 C:31 54.0 0.277 H -64.8 -40.9 54.0 0.277 0.0 DG
DG
DA
DG
DT
DA
DG
DT
 8.970
6.889
6.161
9.797
6.761
4.587
8.456
9.474
 C
C
CB
CD2
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
N7
C3'
OP2
N7
O4
HIS J:31 G:31 37.0 0.19 H -63.6 -44.9 37.0 0.19 0.0 DC
DG
DA
DC
DA
DA
DT
DT
 9.679
6.838
5.290
9.380
8.953
6.770
6.810
8.531
 CE1
CE1
NE2
NE2
C
N
CB
CD2
 O3'
C3'
OP2
N4
O3'
OP1
OP2
C7
6s01 3 Q6AZJ8 89.06 4e-78 EM
 2019-12-18 HIS C:31 C:31 23.0 0.118 H -64.6 -36.4 23.0 0.118 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 9.148
7.035
6.474
9.523
9.248
6.160
4.158
9.152
 C
C
CB
CE1
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
HIS G:31 G:31 25.0 0.128 H -64.5 -36.4 25.0 0.128 0.0 DC
DT
DA
DG
DG
DG
DA
 9.250
6.339
4.292
9.212
9.061
6.886
6.573
 CE1
NE2
NE2
NE2
C
C
CB
 O3'
C3'
OP2
N7
O3'
OP2
OP2
6t9l 3 Q6AZJ8 89.06 4e-78 EM
 2020-01-29 HIS C:31 C:31 19.0 0.097 H -64.7 -40.0 19.0 0.097 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.919
6.590
6.664
9.708
9.862
6.908
4.732
9.192
9.808
 C
C
CB
CD2
CE1
NE2
NE2
NE2
NE2
 O3'
OP1
OP2
C7
O3'
C3'
OP2
OP2
N4
HIS G:31 G:31 35.0 0.179 H -63.5 -41.3 35.0 0.179 0.0 DC
DT
DA
DG
DG
DG
DA
 9.436
6.475
4.234
9.075
8.998
6.884
6.829
 CE1
NE2
NE2
CE1
C
C
ND1
 O3'
O3'
OP2
N7
O3'
OP1
OP2
6tda 3 Q6AZJ8 89.06 4e-78 EM
 2020-03-18 HIS C:31 C:31 35.0 0.179 H -63.0 -44.3 35.0 0.179 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.423
6.070
4.320
8.545
9.822
9.067
6.882
6.643
 NE2
NE2
NE2
CE1
CE1
C
C
CB
 O3'
C3'
OP2
N7
C7
O3'
OP2
OP2
HIS G:31 G:31 33.0 0.169 H -64.9 -39.4 33.0 0.169 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 9.097
7.005
6.320
8.653
9.913
9.465
6.178
4.384
8.938
9.437
 C
N
CB
NE2
NE2
CE1
CE1
CE1
NE2
NE2
 O3'
OP1
OP2
C7
O6
O3'
C3'
OP2
C5
N4
6tem 3 Q6AZJ8 89.06 4e-78 EM
 2020-04-08 HIS C:31 C:31 45.0 0.231 H -65.5 -39.2 45.0 0.231 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 8.962
6.515
6.271
9.256
9.247
6.066
4.141
8.503
 C
C
CB
CD2
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
HIS G:31 G:31 34.0 0.174 H -70.4 -36.5 34.0 0.174 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.808
6.303
4.435
8.727
9.436
9.194
7.038
6.425
 CE1
CE1
NE2
NE2
NE2
C
C
CB
 O3'
C3'
OP2
N7
C7
O3'
OP2
OP2
6uxw 3 P06897 89.06 4e-78 EM
 2020-03-18 HIS C:31 T:31 30.0 0.154 H -62.4 -43.3 30.0 0.154 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.312
6.178
4.416
8.761
9.665
9.570
7.444
6.572
 CE1
CE1
NE2
NE2
NE2
C
C
CB
 O3'
C3'
OP2
N7
C7
O3'
OP2
OP2
HIS G:31 X:31 28.0 0.144 H -62.5 -43.1 28.0 0.144 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 9.087
6.957
6.522
8.628
9.642
6.353
4.565
8.434
9.600
 C
C
CB
CD2
CE1
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
N4
6ven 3 P06897 89.06 4e-78 EM
 2020-01-15 HIS C:31 C:31 34.0 0.174 H -60.0 -42.8 34.0 0.174 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.648
6.866
4.752
8.957
9.831
8.981
6.885
6.374
 CE1
CE1
NE2
NE2
NE2
C
N
CB
 O3'
C3'
OP2
N7
C7
O3'
OP1
OP2
HIS G:31 G:31 19.0 0.097 H -67.2 -40.8 19.0 0.097 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 9.232
6.871
6.764
9.355
9.380
6.178
4.284
8.605
9.766
 C
C
CB
CD2
CE1
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
N4
6vyp 3 P06897 89.06 4e-78 X-RAY
 2020-05-27 HIS C:31 C:31 30.0 0.154 H -63.7 -36.0 30.0 0.154 0.0 DA
DA
DT
DT
DG
DG
DC
DG
DA
DC
DC
 8.690
6.471
6.610
8.102
9.790
9.829
9.019
6.010
4.224
7.909
9.489
 C
C
CB
CD2
NE2
NE2
CE1
CE1
NE2
NE2
NE2
 O3'
OP1
OP2
C7
O6
O6
O3'
C3'
OP2
N4
N4
HIS G:31 G:31 33.0 0.169 H -64.0 -36.8 33.0 0.169 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 9.091
6.084
4.444
8.444
9.359
8.521
6.469
6.168
9.835
9.754
 CE1
CE1
NE2
NE2
NE2
C
C
CB
CD2
NE2
 O3'
C3'
OP2
N7
O4
O3'
OP1
OP2
O6
N6
HIS M:31 c:31 31.0 0.159 H -63.8 -35.7 NA NA NA
HIS Q:31 g:31 31.0 0.159 H -63.7 -36.0 NA NA NA
6w5m 7 P06897 89.06 4e-78 EM
 2021-03-31 HIS G:31 I:31 32.0 0.164 H -64.9 -47.4 32.0 0.164 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 9.867
6.576
4.487
8.424
9.304
8.375
5.936
6.188
9.805
9.749
 CE1
CE1
CE1
NE2
NE2
C
C
CD2
NE2
NE2
 O3'
O3'
OP2
N7
O4
O3'
OP1
OP2
O6
N6
HIS K:31 M:31 36.0 0.185 H -59.4 -30.1 36.0 0.185 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.844
6.456
6.773
9.221
9.248
5.499
4.769
8.025
9.353
 C
C
CB
CD2
CE1
NE2
NE2
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP1
C5
N4
6w5n 7 P06897 89.06 4e-78 EM
 2021-03-31 HIS G:31 I:31 32.0 0.164 H -65.0 -47.3 32.0 0.164 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 9.982
6.637
4.464
8.223
9.018
8.183
5.733
6.107
9.707
9.750
 CE1
CE1
CE1
NE2
NE2
C
C
CD2
NE2
NE2
 O3'
O3'
OP2
N7
O4
O3'
OP1
OP2
O6
N6
HIS K:31 M:31 37.0 0.19 H -59.5 -30.1 37.0 0.19 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.562
6.136
6.665
9.050
9.328
5.448
4.638
7.807
9.134
 C
C
CB
CD2
CE1
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP1
C5
N4
6wz5 3 Q6AZJ8 89.06 4e-78 EM
 2020-09-16 HIS C:31 C:31 27.0 0.138 H -61.0 -43.2 27.0 0.138 0.0 DG
DG
DA
DC
DT
DA
DG
DT
 8.870
6.498
6.040
9.230
6.277
4.460
8.925
9.879
 C
C
CD2
NE2
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
O3'
C3'
OP2
N7
O4
HIS G:31 G:31 25.0 0.128 H -61.5 -47.4 25.0 0.128 0.0 DC
DG
DA
DC
DC
DA
DA
DT
DT
 9.180
6.268
4.543
8.541
9.753
8.976
6.749
6.264
8.755
 NE2
CE1
NE2
NE2
NE2
C
C
CB
CD2
 O3'
C3'
OP2
C5
N4
O3'
OP2
OP2
C7
6wz9 3 Q6AZJ8 89.06 4e-78 EM
 2020-09-16 HIS C:31 C:31 25.0 0.128 H -61.2 -43.2 25.0 0.128 0.0 DG
DG
DA
DC
DT
DA
DG
 8.856
6.473
6.164
9.385
6.284
4.373
9.241
 C
C
CB
NE2
NE2
NE2
NE2
 O3'
OP2
OP2
O3'
C3'
OP2
N7
HIS G:31 G:31 29.0 0.149 H -61.3 -46.9 29.0 0.149 0.0 DC
DG
DA
DC
DC
DA
DA
DT
DT
 9.595
6.224
4.216
8.405
9.801
8.767
6.504
6.426
9.076
 NE2
CE1
NE2
NE2
NE2
C
C
CD2
CD2
 O3'
O3'
OP2
C5
N4
O3'
OP2
OP2
C7
6x0n 3 Q6AZJ8 89.06 4e-78 EM
 2020-09-16 HIS C:31 C:31 28.0 0.144 H -60.8 -42.5 28.0 0.144 0.0 DG
DG
DA
DG
DA
DC
DC
DT
DA
DG
DT
 8.783
6.359
6.148
9.875
9.724
9.827
8.329
6.003
4.472
8.664
9.374
 C
C
CB
CD2
CD2
NE2
CE1
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
O6
N6
N4
O3'
C3'
OP2
N7
O4
HIS G:31 G:31 20.0 0.103 H -61.8 -46.4 20.0 0.103 0.0 DC
DG
DA
DC
DC
DA
DA
DT
DT
 8.106
5.414
3.883
8.176
9.459
9.006
6.649
6.164
8.501
 CE1
NE2
NE2
NE2
CD2
C
C
CB
CD2
 O3'
C3'
OP2
N4
N4
O3'
OP2
OP2
C7
HIS M:31 c:31 28.0 0.144 H -61.0 -43.0 28.0 0.144 0.0 DG
DG
DA
DC
DT
DA
DG
DT
 8.550
6.129
5.802
9.029
6.786
5.096
9.269
9.858
 C
C
CB
CE1
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
O3'
O5'
OP2
N7
O4
HIS Q:31 g:31 23.0 0.118 H -61.1 -46.2 23.0 0.118 0.0 DC
DG
DA
DC
DC
DA
DA
DT
DT
DG
 8.529
5.816
4.151
8.128
9.116
8.668
6.297
6.527
8.810
9.924
 CE1
CE1
NE2
NE2
NE2
C
C
CB
CD2
CD2
 O3'
C3'
OP2
C5
N4
O3'
OP2
OP2
C7
O6
7at8 5 Q6AZJ8 89.06 4e-78 EM
 2020-12-09 HIS E:31 F:31 27.0 0.138 H -64.6 -40.2 27.0 0.138 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.564
6.239
6.410
9.410
9.719
6.847
4.889
9.073
9.682
 C
C
CB
CD2
CE1
CE1
NE2
NE2
NE2
 O3'
OP1
OP2
C7
O3'
C3'
OP2
C5
N4
HIS I:31 J:31 42.0 0.215 H -64.8 -40.2 42.0 0.215 0.0 DC
DT
DA
DG
DG
DG
DA
 9.587
6.715
4.454
9.175
8.511
6.366
6.565
 CE1
NE2
NE2
NE2
C
C
ND1
 O3'
O3'
OP2
OP2
O3'
OP1
OP2
7cro 3 Q6AZJ8 89.06 4e-78 EM
 2020-10-21 HIS C:31 C:31 30.0 0.154 H -62.4 -53.6 30.0 0.154 0.0 DT
DA
DG
DG
DA
 6.835
5.193
9.615
7.902
6.816
 NE2
NE2
CE1
C
ND1
 C3'
OP2
N7
OP2
OP2
HIS G:31 G:31 31.0 0.159 H -66.1 -42.8 31.0 0.159 0.0 DA
DA
DT
DG
DA
DC
 9.375
7.106
7.061
6.901
4.865
9.724
 C
N
CB
NE2
NE2
NE2
 O3'
OP1
OP2
C3'
OP2
C5
7crp 3 Q6AZJ8 89.06 4e-78 EM
 2020-10-21 HIS C:31 C:31 27.0 0.138 H -68.4 -44.9 27.0 0.138 0.0 DC
DT
DA
DG
DG
DA
 9.982
6.741
4.882
9.530
7.451
7.020
 CE1
NE2
NE2
C
C
CB
 O3'
C3'
OP2
O3'
OP2
OP2
HIS G:31 G:31 31.0 0.159 H -67.1 -44.8 31.0 0.159 0.0 DA
DA
DT
DG
DA
DC
 9.630
7.469
6.874
6.886
4.963
9.848
 N
N
CB
NE2
NE2
NE2
 O3'
OP1
OP2
C3'
OP2
C5
7crq 3 Q6AZJ8 89.06 4e-78 EM
 2020-10-21 HIS C:31 C:31 26.0 0.133 H -62.7 -47.4 26.0 0.133 0.0 DT
DA
DG
DG
DA
 7.221
5.156
9.681
7.556
6.825
 NE2
NE2
C
C
ND1
 O3'
OP2
O3'
OP2
OP2
HIS G:31 G:31 33.0 0.169 H -63.2 -46.0 33.0 0.169 0.0 DA
DA
DT
DT
DG
DA
DC
 9.590
7.463
6.453
9.605
7.037
5.199
9.753
 C
N
ND1
ND1
NE2
NE2
CE1
 O3'
OP1
OP2
C7
C3'
OP2
N4
7crr 3 Q6AZJ8 89.06 4e-78 EM
 2020-10-21 HIS C:31 C:31 31.0 0.159 H -60.1 -44.3 31.0 0.159 0.0 DC
DT
DA
DG
DG
DG
DA
 9.893
6.690
4.691
9.436
9.708
7.423
6.970
 CE1
CE1
NE2
NE2
C
C
CB
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
HIS G:31 G:31 32.0 0.164 H -59.7 -41.2 32.0 0.164 0.0 DA
DA
DT
DC
DG
DA
DC
 9.371
7.117
6.695
9.946
6.871
4.697
9.222
 C
C
CB
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
O3'
C3'
OP2
C5
7eg6 4 P06897 89.06 4e-78 EM
 2022-01-12 HIS D:31 C:31 34.0 0.174 H -64.5 -43.1 34.0 0.174 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.697
6.540
4.542
8.717
9.606
9.192
7.125
6.379
 CE1
CE1
NE2
NE2
NE2
C
C
CB
 O3'
C3'
OP2
N7
C7
O3'
OP2
OP2
HIS H:31 G:31 26.0 0.133 H -66.2 -39.2 26.0 0.133 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 9.290
7.237
6.593
9.199
9.173
6.216
4.247
8.681
9.689
 C
C
CB
CD2
CE1
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
N4
7egp 13 Q6AZJ8 89.06 4e-78 EM
 2022-01-12 HIS N:31 Q:31 19.0 0.097 H -74.4 -33.3 19.0 0.097 0.0 DA
DA
DT
DT
DG
DG
DC
DG
DA
DC
DC
 8.471
6.087
5.063
6.539
8.323
9.509
8.625
4.918
4.931
7.134
7.944
 C
C
CB
CD2
NE2
NE2
NE2
NE2
CE1
NE2
NE2
 O3'
OP2
OP2
C7
O6
O6
O3'
C3'
OP1
N4
N4
HIS R:31 U:31 24.0 0.123 H -65.4 -36.8 23.0 0.118 0.005 S:P02281:0.005
 DC
DT
DA
DG
DT
DG
DA
DG
DA
DC
 7.009
4.248
3.593
7.676
8.421
7.817
6.395
9.201
8.320
9.462
 CE1
NE2
NE2
NE2
CD2
C
CB
CD2
NE2
NE2
 O3'
C3'
OP1
N7
O4
OP2
OP2
N7
N6
N4
7enn 4 P06897 89.06 4e-78 EM
 2021-07-14 HIS D:31 C:31 27.0 0.138 H -61.4 -44.7 27.0 0.138 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.318
6.596
4.519
8.927
9.957
9.077
7.011
6.384
 CE1
CE1
NE2
NE2
NE2
C
C
CB
 O3'
C3'
OP2
N7
C7
O3'
OP2
OP2
HIS H:31 G:31 24.0 0.123 H -63.4 -43.6 24.0 0.123 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 9.147
6.996
6.376
8.718
9.567
6.258
4.517
8.911
 C
C
ND1
ND1
CE1
NE2
NE2
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
N4
7mbm 7 Q6AZJ8 89.06 4e-78 EM
 2021-12-29 HIS G:31 I:31 44.0 0.226 H -70.3 -32.5 44.0 0.226 0.0 DG
DA
DC
DA
DA
DT
 6.388
4.419
8.142
9.892
7.509
7.673
 NE2
NE2
CE1
C
C
CB
 O3'
OP2
OP2
O3'
OP2
OP2
HIS K:31 M:31 46.0 0.236 H -69.1 -32.2 46.0 0.236 0.0 DG
DG
DA
DT
DA
DG
DT
 9.265
7.217
6.735
6.796
4.866
9.026
9.814
 C
C
ND1
NE2
CE1
NE2
CE1
 O3'
OP2
OP2
O3'
OP2
OP2
C7
7mbn 7 Q6AZJ8 89.06 4e-78 EM
 2021-12-29 HIS G:31 I:31 33.0 0.169 H -65.0 -47.4 33.0 0.169 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 9.775
6.730
4.618
8.383
9.127
8.207
5.794
5.808
9.619
9.543
 CE1
CE1
CE1
NE2
NE2
C
C
CD2
NE2
NE2
 O3'
C3'
OP2
N7
O4
O3'
OP1
OP2
O6
N6
HIS K:31 M:31 35.0 0.179 H -59.5 -30.1 35.0 0.179 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 8.342
5.995
6.159
8.701
9.957
9.368
5.719
5.247
8.025
9.174
 C
C
CB
CD2
NE2
CE1
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
C7
O6
O3'
C3'
OP1
C5
N4
7oh9 3 Q6AZJ8 89.06 4e-78 EM
 2021-07-28 HIS C:31 C:31 25.0 0.128 H -64.0 -42.6 25.0 0.128 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.805
6.827
6.222
8.707
9.040
5.970
4.044
8.182
9.645
 C
C
CB
CD2
CE1
CE1
NE2
NE2
NE2
 O3'
OP1
OP2
C7
O3'
C3'
OP2
C5
N4
HIS G:31 G:31 32.0 0.164 H -63.7 -43.0 32.0 0.164 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.115
5.751
4.085
8.828
9.786
8.800
6.734
5.978
 CE1
NE2
NE2
CE1
CE1
C
C
ND1
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
7oha 3 Q6AZJ8 89.06 4e-78 EM
 2021-07-28 HIS C:31 C:31 26.0 0.133 H -65.3 -43.9 26.0 0.133 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.835
6.620
6.605
8.448
8.976
5.842
4.254
8.242
9.396
 C
C
ND1
ND1
NE2
NE2
CE1
CE1
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
N4
HIS G:31 G:31 29.0 0.149 H -62.6 -43.8 29.0 0.149 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DA
 8.968
5.775
3.944
8.612
9.435
9.362
6.934
6.609
9.873
 NE2
NE2
NE2
CE1
CE1
C
C
ND1
CE1
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
N6
7ohb 3 Q6AZJ8 89.06 4e-78 EM
 2021-07-28 HIS C:31 C:31 18.0 0.092 H -66.2 -40.0 18.0 0.092 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.965
6.953
6.199
8.477
9.202
5.973
4.227
8.756
9.794
 C
C
ND1
ND1
CE1
NE2
NE2
CE1
CE1
 O3'
OP1
OP2
C7
O3'
C3'
OP2
N4
N4
HIS G:31 G:31 12.0 0.062 H -67.5 -40.3 12.0 0.062 0.0 DC
DT
DA
DG
DG
DG
DA
 9.155
6.015
4.177
9.315
8.900
6.527
6.082
 CE1
NE2
NE2
CE1
C
C
ND1
 O3'
C3'
OP2
N7
O3'
OP2
OP2
7ohc 3 Q6AZJ8 89.06 4e-78 EM
 2021-07-28 HIS C:31 C:31 27.0 0.138 H -65.0 -43.5 27.0 0.138 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 9.029
7.044
6.266
8.402
9.102
5.886
4.249
8.105
9.196
 C
C
CB
ND1
NE2
NE2
NE2
CE1
CE1
 O3'
OP1
OP2
C7
O3'
C3'
OP2
C5
N4
HIS G:31 G:31 29.0 0.149 H -63.4 -43.0 29.0 0.149 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.060
5.851
3.980
9.069
9.979
9.098
6.944
6.466
 CE1
NE2
NE2
CE1
CE1
C
C
CB
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
3x1s 3 P04908 94.26 5e-78 X-RAY
 2015-09-23 HIS C:31 C:31 19.0 0.097 H -63.6 -47.1 19.0 0.097 0.0 DA
DA
DA
DA
DT
DA
DC
HOH
 8.697
6.480
6.570
9.650
6.547
4.752
9.025
8.218
 C
C
ND1
CE1
NE2
NE2
CE1
NE2
 O3'
OP2
OP2
O3'
O3'
OP2
N4
O
HIS G:31 G:31 23.0 0.118 H -59.8 -50.1 23.0 0.118 0.0 DA
DA
DT
DA
DA
DA
DG
DT
MN
 9.244
6.272
4.617
9.884
8.846
6.422
6.665
9.090
8.450
 CE1
NE2
NE2
NE2
C
C
ND1
ND1
NE2
 O3'
O3'
OP2
OP2
O3'
OP2
OP2
C7
MN
3x1v 4 P04908 94.26 5e-78 X-RAY
 2015-09-23 HIS E:31 C:31 30.0 0.154 H -71.9 -43.7 30.0 0.154 0.0 DA
DA
DA
DA
DT
DA
DC
HOH
 8.894
6.582
6.445
9.445
6.269
4.395
8.448
8.617
 C
C
ND1
NE2
NE2
NE2
CE1
NE2
 O3'
OP2
OP2
O3'
O3'
OP2
C5
O
HIS I:31 G:31 28.0 0.144 H -73.0 -41.1 28.0 0.144 0.0 DA
DA
DT
DA
DA
DA
DG
DT
MN
 9.470
6.654
5.048
9.835
8.985
6.802
6.399
8.889
8.512
 CE1
NE2
NE2
CE1
N
C
ND1
ND1
NE2
 O3'
C3'
OP2
N7
O3'
OP2
OP2
C7
MN
7bwd 3 P04908 94.26 5e-78 EM
 2021-04-14 HIS C:31 G:31 35.0 0.179 H -64.5 -24.0 35.0 0.179 0.0 DA
DA
DT
DT
DG
DA
DC
 9.035
6.644
6.338
9.676
6.715
4.786
8.792
 C
C
CB
NE2
CE1
NE2
NE2
 O3'
OP2
OP2
C7
C3'
OP2
C5
HIS H:31 C:31 38.0 0.195 H -67.1 -20.8 38.0 0.195 0.0 DT
DA
DG
DT
DG
DG
DA
 6.741
4.928
8.907
9.550
9.250
7.056
6.363
 CE1
NE2
NE2
NE2
C
C
CD2
 C3'
OP2
N7
C7
O3'
OP2
OP2
5z23 3 P04908 91.87 6e-78 X-RAY
 2019-02-13 HIS C:35 C:31 27.0 0.138 H -57.5 -41.8 27.0 0.138 0.0 DA
DA
DA
DA
DT
DA
DC
 9.033
6.757
6.551
9.466
6.456
4.496
9.230
 C
C
CB
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
O3'
O3'
OP2
OP2
HIS G:35 G:31 52.0 0.267 H -56.6 -43.8 52.0 0.267 0.0 DA
DA
DT
DA
DA
DA
DG
DT
 9.499
6.496
4.694
8.551
8.633
6.453
6.533
8.999
 CE1
CE1
CE1
NE2
C
C
CB
CD2
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
C7
6wkr 11 P06897 88.37 7e-78 EM
 2021-02-03 HIS K:32 K:31 18.0 0.092 H -54.9 -27.3 18.0 0.092 0.0 DG
DA
DG
DC
DC
DT
DA
 9.261
6.901
6.672
9.480
6.920
4.877
9.132
 C
C
CB
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
O3'
C3'
OP2
OP2
HIS O:32 R:31 20.0 0.103 H -60.1 -54.1 20.0 0.103 0.0 DG
DA
DC
DC
DC
DA
DA
 9.507
6.675
4.888
9.157
9.882
7.761
6.755
 NE2
NE2
CE1
CE1
C
C
CB
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
5omx 5 Q6AZJ8 89.06 8e-78 X-RAY
 2017-11-15 HIS E:31 C:31 17.0 0.087 H -62.0 -39.7 17.0 0.087 0.0 DA
DA
DG
DT
DA
DA
DT
DA
CL
HOH
 9.268
6.962
6.975
9.212
9.417
6.959
5.302
9.878
8.233
8.911
 N
C
CD2
CD2
CE1
CE1
NE2
NE2
CE1
N
 O3'
OP2
OP2
C7
O3'
C3'
OP2
N7
CL
O
HIS I:31 G:31 18.0 0.092 H -57.5 -47.8 18.0 0.092 0.0 DA
DA
DT
DA
DA
DG
DT
CL
 9.424
7.009
5.135
9.150
6.781
7.021
9.562
7.683
 CE1
NE2
NE2
N
C
CB
CD2
CE1
 O3'
C3'
OP2
O3'
OP2
OP2
C7
CL
5onw 5 Q6AZJ8 89.06 8e-78 X-RAY
 2017-11-22 HIS E:31 C:31 15.0 0.077 H -66.5 -51.8 15.0 0.077 0.0 DA
DA
DG
DT
DA
DA
DT
CL
 8.948
6.487
6.675
8.832
9.273
6.818
5.140
8.078
 N
C
ND1
ND1
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
CL
HIS I:31 G:31 25.0 0.128 H -64.3 -37.1 25.0 0.128 0.0 DA
DA
DT
DA
DA
DG
DT
CL
 9.300
6.974
5.048
8.886
6.643
6.464
9.034
8.175
 CE1
NE2
NE2
C
C
ND1
ND1
NE2
 O3'
C3'
OP2
O3'
OP2
OP2
C7
CL
6g0l 3 P06897 88.37 8e-78 EM
 2018-08-22 HIS C:32 C:31 43.0 0.221 H -60.7 -41.1 43.0 0.221 0.0 DA
DA
DT
DT
DG
DG
DC
DG
DA
DC
DC
 9.489
6.990
5.232
7.492
8.992
9.152
9.122
6.008
4.097
8.380
9.461
 C
ND1
ND1
CE1
CE1
CE1
NE2
NE2
NE2
CE1
CE1
 O3'
C3'
OP2
C7
O6
O6
O3'
C3'
OP2
N4
N4
1m18 4 P06897 89.06 9e-78 X-RAY
 2003-02-18 HIS E:31 C:831 17.0 0.087 H -60.5 -53.1 17.0 0.087 0.0 DA
DA
DA
DA
DT
DA
DC
HOH
 8.986
6.407
5.976
9.240
6.637
4.846
9.098
4.632
 C
CB
CB
NE2
NE2
CE1
CE1
CD2
 O3'
C5'
OP2
O3'
C5'
OP2
OP2
O
HIS I:31 G:1031 21.0 0.108 H -63.8 -51.1 21.0 0.108 0.0 DA
DA
DT
DA
DA
DA
DG
DT
HOH
 9.363
6.901
5.006
8.850
8.879
6.679
5.895
8.584
6.905
 NE2
CE1
CE1
CE1
C
C
CD2
NE2
N
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
C7
O
1m19 4 P06897 89.06 9e-78 X-RAY
 2003-02-18 HIS E:31 C:831 21.0 0.108 H -60.2 -47.9 21.0 0.108 0.0 DA
DA
DA
DA
DT
DA
DC
HOH
 8.991
6.580
6.533
9.256
6.362
4.226
9.102
6.843
 C
C
CB
CE1
NE2
NE2
NE2
O
 O3'
OP2
OP2
O3'
O3'
OP2
OP2
O
HIS I:31 G:1031 27.0 0.138 H -61.6 -48.8 27.0 0.138 0.0 DA
DA
DT
DA
DA
DA
DG
DT
HOH
 9.196
6.577
4.629
8.768
9.059
6.982
5.862
8.423
6.733
 NE2
CE1
CE1
CE1
C
C
CB
NE2
N
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
C7
O
1m1a 4 P06897 89.06 9e-78 X-RAY
 2003-02-18 HIS E:31 C:831 21.0 0.108 H -69.1 -41.1 21.0 0.108 0.0 DA
DA
DG
DT
DA
DA
DT
DA
HOH
 8.759
6.529
6.731
9.550
9.661
7.208
4.905
9.972
8.126
 N
N
CB
CD2
CE1
CE1
NE2
NE2
CE1
 O3'
OP1
OP2
C7
O3'
C3'
OP2
N7
O
HIS I:31 G:1031 14.0 0.072 H -72.9 -35.9 14.0 0.072 0.0 DA
DT
DA
DC
DA
DA
DA
HOH
 9.435
6.764
5.209
9.456
8.981
6.894
6.472
3.885
 NE2
NE2
CE1
NE2
C
N
CB
CG
 O3'
C3'
OP2
C5
O3'
OP1
OP2
O
1p34 4 Q7ZT66 89.06 9e-78 X-RAY
 2004-02-24 HIS E:31 C:831 8.0 0.041 H -58.4 -45.0 8.0 0.041 0.0 DA
DA
DG
DT
DA
DA
DT
HOH
 8.878
6.525
6.863
9.976
9.263
7.073
5.612
4.370
 C
C
CB
CD2
NE2
NE2
CE1
CD2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
O
HIS I:31 G:1031 16.0 0.082 H -64.3 -49.9 16.0 0.082 0.0 DA
DA
DT
DA
DA
DG
DT
HOH
 9.168
7.099
5.339
8.910
6.472
6.753
9.195
6.908
 NE2
CE1
CE1
C
C
CB
CD2
N
 O3'
C3'
OP2
O3'
OP2
OP2
C7
O
1p3a 4 Q7ZT66 89.06 9e-78 X-RAY
 2004-02-24 HIS E:31 C:831 12.0 0.062 H -84.1 -38.2 12.0 0.062 0.0 DA
DA
DG
DA
DA
DT
HOH
 8.614
6.339
6.814
9.397
7.191
5.010
8.245
 N
C
CB
NE2
CE1
CE1
O
 O3'
OP2
OP2
O3'
C3'
OP2
O
HIS I:31 G:1031 16.0 0.082 H -58.8 -45.4 16.0 0.082 0.0 DA
DA
DT
DA
DA
DG
DT
HOH
 9.238
7.077
5.458
8.916
6.436
6.956
9.223
8.655
 NE2
NE2
CE1
C
C
CB
CD2
NE2
 O3'
OP1
OP2
O3'
OP2
OP2
C7
O
1p3b 4 Q7ZT66 89.06 9e-78 X-RAY
 2004-02-24 HIS E:31 C:831 20.0 0.103 H -51.5 -41.9 20.0 0.103 0.0 DA
DA
DG
DT
DA
DA
DT
DA
HOH
 8.916
6.542
6.601
9.595
9.246
6.764
4.932
9.609
3.195
 C
C
CB
CD2
CE1
CE1
NE2
NE2
CD2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
N7
O
HIS I:31 G:1031 18.0 0.092 H -51.4 -50.2 18.0 0.092 0.0 DA
DA
DT
DA
DA
DA
DG
DT
HOH
 9.267
7.043
5.228
9.963
9.056
6.572
6.771
9.617
8.048
 NE2
CE1
CE1
NE2
C
C
CB
CD2
NE2
 O3'
O3'
OP2
N7
O3'
OP2
OP2
C7
O
1p3f 4 Q7ZT66 89.06 9e-78 X-RAY
 2004-02-24 HIS E:31 C:831 13.0 0.067 H -57.1 -39.2 13.0 0.067 0.0 DA
DA
DG
DT
DA
DA
DT
HOH
 8.553
6.233
6.526
9.686
9.505
7.290
5.640
7.607
 C
C
CD2
CD2
NE2
CE1
CE1
CB
 O3'
OP2
OP2
C7
O3'
C3'
OP2
O
HIS I:31 G:1031 18.0 0.092 H -67.9 -43.6 18.0 0.092 0.0 DA
DA
DT
DA
DA
DA
DG
DT
HOH
 9.447
6.915
5.186
9.945
8.791
6.274
6.712
9.452
8.205
 NE2
CE1
NE2
NE2
C
C
CD2
CD2
CE1
 O3'
O3'
OP2
N7
O3'
OP2
OP2
C7
O
1p3g 4 Q7ZT66 89.06 9e-78 X-RAY
 2004-02-24 HIS E:31 C:831 18.0 0.092 H -73.4 -27.8 18.0 0.092 0.0 DA
DA
DG
DT
DA
DA
DT
DA
HOH
 8.972
6.522
6.691
9.501
9.419
6.926
4.835
9.884
7.094
 C
C
CD2
CD2
NE2
NE2
CE1
NE2
O
 O3'
OP2
OP2
C7
O3'
C3'
OP2
N7
O
HIS I:31 G:1031 14.0 0.072 H -62.0 -43.1 14.0 0.072 0.0 DA
DA
DT
DA
DA
DG
DT
HOH
 9.221
7.079
5.344
8.774
6.450
7.020
9.274
6.809
 NE2
NE2
CE1
C
C
CB
CD2
N
 O3'
C3'
OP2
O3'
OP2
OP2
C7
O
1p3i 4 Q7ZT66 89.06 9e-78 X-RAY
 2004-02-24 HIS E:31 C:831 13.0 0.067 H -58.9 -48.3 13.0 0.067 0.0 DA
DA
DG
DT
DA
DA
DT
HOH
 9.098
6.816
6.835
9.814
9.113
6.873
5.235
6.673
 N
C
CB
CD2
NE2
CE1
CE1
N
 O3'
OP2
OP2
C7
O3'
C3'
OP1
O
HIS I:31 G:1031 17.0 0.087 H -65.0 -49.1 17.0 0.087 0.0 DA
DA
DT
DA
DA
DG
DT
HOH
 9.208
7.002
5.232
8.997
6.545
6.786
9.784
3.982
 NE2
CE1
CE1
N
C
CB
CD2
CD2
 O3'
C3'
OP2
O3'
OP2
OP2
C7
O
1p3k 4 Q7ZT66 89.06 9e-78 X-RAY
 2004-02-24 HIS E:31 C:831 14.0 0.072 H -48.1 -37.7 14.0 0.072 0.0 DA
DA
DG
DT
DA
DA
DT
DA
HOH
 9.008
6.525
6.821
9.570
9.277
7.126
5.022
9.995
5.326
 C
C
CB
CD2
NE2
NE2
CE1
NE2
O
 O3'
OP2
OP2
C7
O3'
C3'
OP2
N7
O
HIS I:31 G:1031 15.0 0.077 H -63.2 -45.0 15.0 0.077 0.0 DA
DA
DT
DA
DA
DG
DT
HOH
 9.050
7.004
5.439
9.167
6.654
6.978
9.864
4.171
 NE2
NE2
CE1
C
C
CB
CD2
CD2
 O3'
O5'
OP2
O3'
OP2
OP2
C7
O
1p3l 4 Q7ZT66 89.06 9e-78 X-RAY
 2004-02-24 HIS E:31 C:831 12.0 0.062 H -63.2 -41.7 12.0 0.062 0.0 DA
DA
DG
DT
DA
DA
DT
DA
HOH
 8.928
6.604
6.874
9.718
9.182
6.944
5.058
9.963
4.429
 N
C
CB
CD2
NE2
CE1
CE1
NE2
CD2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
N6
O
HIS I:31 G:1031 14.0 0.072 H -64.7 -48.1 14.0 0.072 0.0 DA
DA
DT
DA
DA
DG
DT
HOH
 8.952
6.710
5.117
9.015
6.577
6.935
9.215
8.154
 NE2
CE1
CE1
C
C
CB
CD2
NE2
 O3'
C3'
OP2
O3'
OP2
OP2
C7
O
1p3m 4 Q7ZT66 89.06 9e-78 X-RAY
 2004-02-24 HIS E:31 C:831 15.0 0.077 H -61.0 -24.2 15.0 0.077 0.0 DA
DA
DG
DT
DA
DA
DT
HOH
 9.007
6.688
7.154
9.723
9.445
6.926
4.773
7.711
 C
C
CB
CD2
NE2
NE2
CE1
O
 O3'
OP2
OP2
C7
O3'
C3'
OP2
O
HIS I:31 G:1031 23.0 0.118 H -56.6 -45.2 23.0 0.118 0.0 DA
DA
DT
DA
DA
DA
DG
HOH
 9.078
6.862
5.104
9.911
8.980
6.578
7.000
8.142
 NE2
NE2
CE1
CE1
C
C
CB
NE2
 O3'
C3'
OP2
N7
O3'
OP2
OP2
O
1p3o 4 Q7ZT66 89.06 9e-78 X-RAY
 2004-02-24 HIS E:31 C:831 13.0 0.067 H -76.6 -36.6 13.0 0.067 0.0 DA
DA
DG
DT
DA
DA
DT
HOH
 8.977
6.619
6.754
9.641
9.388
7.031
5.075
6.457
 N
C
CB
CD2
NE2
NE2
CE1
N
 O3'
OP2
OP2
C7
O3'
C3'
OP2
O
HIS I:31 G:1031 16.0 0.082 H -58.5 -47.5 16.0 0.082 0.0 DA
DA
DT
DA
DA
DG
DT
HOH
 9.059
7.005
5.218
9.045
6.587
6.745
9.383
8.295
 NE2
NE2
CE1
C
C
CB
CD2
NE2
 O3'
C3'
OP2
O3'
OP2
OP2
C7
O
1p3p 4 Q7ZT66 89.06 9e-78 X-RAY
 2004-02-24 HIS E:31 C:831 16.0 0.082 H -65.7 -30.2 16.0 0.082 0.0 DA
DA
DG
DT
DA
DA
DT
HOH
 9.052
6.568
6.634
9.504
9.667
7.181
5.079
6.725
 C
C
CD2
CD2
NE2
CE1
CE1
N
 O3'
OP2
OP2
C7
O3'
C3'
OP2
O
HIS I:31 G:1031 11.0 0.056 H -65.7 -45.2 11.0 0.056 0.0 DA
DA
DT
DA
DA
DG
DT
HOH
 9.031
7.033
5.257
8.890
6.424
6.817
9.545
7.702
 NE2
NE2
CE1
C
C
CB
CD2
CB
 O3'
C3'
OP2
O3'
OP2
OP2
C7
O
7e8i 5 Q6AZJ8 88.28 3e-77 EM
 2021-06-30 HIS E:31 C:31 20.0 0.103 H -65.1 -40.9 20.0 0.103 0.0 DC
DG
DA
DC
DC
DA
DA
DT
DT
 9.193
6.208
4.509
8.532
9.889
8.661
6.672
6.310
8.464
 CE1
CE1
NE2
NE2
NE2
C
C
CB
CD2
 O3'
C3'
OP2
C5
N4
O3'
OP2
OP2
C7
HIS I:31 G:31 8.0 0.041 H -63.3 -42.7 8.0 0.041 0.0 DG
DG
DA
DC
DT
DA
DG
 8.797
6.735
6.355
9.237
6.091
4.279
9.404
 C
C
CB
CE1
NE2
NE2
CE1
 O3'
OP1
OP2
O3'
C3'
OP2
N7
1zla 4 30268540 87.5 6e-77 X-RAY
 2006-02-28 HIS E:31 C:831 14.0 0.072 H -64.3 -37.9 14.0 0.072 0.0 DA
DA
DG
DA
DA
DT
HOH
 8.876
6.492
6.705
9.018
7.049
4.872
8.107
 N
C
CB
NE2
NE2
CE1
NE2
 O3'
OP2
OP2
O3'
O5'
OP2
O
HIS I:31 G:1031 16.0 0.082 H -62.9 -39.3 16.0 0.082 0.0 DA
DA
DT
DA
DA
DG
DT
HOH
 9.256
7.005
5.342
8.904
6.462
6.822
9.244
8.194
 NE2
NE2
CE1
C
C
CB
CD2
NE2
 O3'
C3'
OP2
O3'
OP2
OP2
C7
O
1s32 4 30268540 94.12 3e-76 X-RAY
 2004-05-11 HIS E:31 C:831 22.0 0.113 H -62.7 -44.4 22.0 0.113 0.0 DA
DA
DG
DT
DA
DA
DT
DA
CL
HOH
 8.811
6.569
6.435
8.647
9.311
6.956
5.126
7.849
9.036
4.054
 C
N
CB
CD2
NE2
NE2
CE1
CE1
NE2
CB
 O3'
OP1
OP2
C7
O3'
C3'
OP2
OP2
CL
O
HIS I:31 G:1031 26.0 0.133 H -61.0 -48.9 26.0 0.133 0.0 DA
DA
DT
DA
DA
DA
DG
DT
CL
HOH
 9.302
6.717
4.577
7.600
8.726
6.623
6.299
8.624
8.622
7.136
 NE2
NE2
CE1
CE1
C
N
CB
NE2
NE2
N
 O3'
C3'
OP2
OP2
O3'
OP1
OP2
C7
CL
O
2nzd 5 Q6AZJ8 94.12 3e-76 X-RAY
 2007-04-10 HIS E:31 C:31 10.0 0.051 H -62.2 -40.0 10.0 0.051 0.0 DA
DA
DG
DT
DA
DA
DT
HOH
 9.009
6.674
6.927
9.614
8.966
6.981
5.457
8.172
 N
C
CD2
CD2
NE2
NE2
CE1
NE2
 O3'
OP2
OP2
C7
O3'
OP2
OP2
O
HIS I:31 G:31 18.0 0.092 H -54.1 -51.9 18.0 0.092 0.0 DA
DA
DT
DA
DA
DG
DT
HOH
 9.291
6.976
5.236
8.675
6.506
7.018
9.228
5.387
 NE2
CE1
CE1
C
CB
CD2
CD2
O
 O3'
C3'
OP2
O3'
OP2
OP2
C7
O
3kuy 3 Q6AZJ8 94.12 3e-76 X-RAY
 2010-01-05 HIS C:31 C:31 15.0 0.077 H -56.3 -44.9 15.0 0.077 0.0 DA
DA
DG
DT
DA
DA
DT
 8.788
6.553
6.479
8.867
9.241
7.040
5.519
 N
C
CB
CD2
NE2
CE1
NE2
 O3'
OP2
OP2
C7
O3'
O3'
OP2
HIS G:31 G:31 14.0 0.072 H -58.2 -42.7 14.0 0.072 0.0 DA
DA
DT
DA
DA
DG
DT
 9.562
6.651
4.820
8.441
6.651
6.334
9.027
 NE2
CE1
CE1
C
C
CB
CD2
 O3'
O3'
OP2
O3'
OP2
OP2
C7
3lz0 3 Q6AZJ8 94.12 3e-76 X-RAY
 2010-09-15 HIS C:31 C:31 20.0 0.103 H -67.4 -31.5 20.0 0.103 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
MN
CL
 8.950
6.618
6.882
8.399
9.005
6.147
4.370
8.487
9.872
8.994
7.822
 C
N
CB
CD2
CE1
CE1
NE2
NE2
CD2
NE2
CE1
 O3'
OP1
OP2
C7
O3'
O3'
OP2
N4
N4
MN
CL
HIS G:31 G:31 24.0 0.123 H -83.4 -47.6 24.0 0.123 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
CL
 9.513
6.472
4.663
8.862
9.582
8.858
6.731
6.163
9.610
9.920
8.189
 CE1
CE1
NE2
NE2
NE2
C
N
CD2
CD2
NE2
CE1
 O3'
O3'
OP2
N7
O4
O3'
OP1
OP2
O6
N6
CL
3lz1 3 Q6AZJ8 94.12 3e-76 X-RAY
 2010-09-15 HIS C:31 C:31 20.0 0.103 H -66.6 -33.1 20.0 0.103 0.0 DG
DG
DA
DG
DC
DT
DA
DG
DT
CL
 8.883
6.620
7.168
9.737
8.974
6.104
4.416
8.710
9.968
7.816
 C
C
CD2
CD2
CE1
CE1
NE2
NE2
CD2
CE1
 O3'
OP1
OP2
O6
O3'
O3'
OP2
N7
O4
CL
HIS G:31 G:31 29.0 0.149 H -81.4 -43.2 29.0 0.149 0.0 DC
DG
DA
DC
DC
DA
DA
DT
DT
DG
CL
 9.337
6.331
4.339
8.700
9.302
8.865
6.809
6.488
8.532
9.674
8.249
 CE1
CE1
NE2
NE2
NE2
C
N
CB
CD2
NE2
CE1
 O3'
C3'
OP2
C5
N4
O3'
OP1
OP2
C7
O6
CL
3mgp 3 Q6AZJ8 94.12 3e-76 X-RAY
 2010-06-16 HIS C:31 C:31 18.0 0.092 H -57.7 -36.5 18.0 0.092 0.0 DA
DA
DG
DT
DA
DA
DT
DC
CL
 9.245
6.751
6.949
9.279
8.876
6.861
5.464
9.554
8.107
 C
C
CD2
CD2
NE2
NE2
NE2
NE2
CE1
 O3'
OP2
OP2
C7
O3'
O5'
OP2
N4
CL
HIS G:31 G:31 18.0 0.092 H -62.4 -46.7 18.0 0.092 0.0 DA
DA
DT
DA
DA
DG
DT
CL
 8.957
6.821
5.216
9.103
6.688
6.761
9.344
8.048
 NE2
CE1
CE1
N
C
CB
CD2
NE2
 O3'
O3'
OP2
O3'
OP2
OP2
C7
CL
3mgq 3 Q6AZJ8 94.12 3e-76 X-RAY
 2010-06-16 HIS C:31 C:31 16.0 0.082 H -60.6 -33.1 16.0 0.082 0.0 DA
DA
DG
DT
DA
DA
DT
CL
 9.007
6.577
6.641
9.433
8.952
6.939
5.450
7.980
 N
C
CB
CD2
NE2
NE2
CE1
CE1
 O3'
OP2
OP2
C7
O3'
O5'
OP2
CL
HIS G:31 G:31 19.0 0.097 H -56.8 -47.5 19.0 0.097 0.0 DA
DA
DT
DA
DA
DG
DT
CL
 9.110
6.856
5.247
9.016
6.599
6.454
9.611
8.227
 NE2
NE2
CE1
N
C
CB
CD2
NE2
 O3'
OP1
OP2
O3'
OP2
OP2
C7
CL
3mgr 3 Q6AZJ8 94.12 3e-76 X-RAY
 2010-06-16 HIS C:31 C:31 14.0 0.072 H -55.2 -43.4 14.0 0.072 0.0 DA
DA
DG
DT
DA
DA
DT
CL
 9.264
6.821
6.916
9.336
8.916
6.833
5.409
8.143
 N
C
CB
CD2
NE2
NE2
CE1
NE2
 O3'
OP2
OP2
C7
O3'
OP2
OP2
CL
HIS G:31 G:31 11.0 0.056 H -61.1 -46.6 11.0 0.056 0.0 DA
DA
DT
DA
DA
DG
DT
CL
 8.760
6.700
5.059
9.033
6.554
6.701
9.357
7.868
 NE2
CE1
CE1
C
C
CB
CD2
NE2
 O3'
O3'
OP2
O3'
OP2
OP2
C7
CL
3mgs 3 Q6AZJ8 94.12 3e-76 X-RAY
 2010-06-16 HIS C:31 C:31 12.0 0.062 H -55.4 -51.3 12.0 0.062 0.0 DA
DA
DG
DT
DA
DA
DT
CL
 9.109
6.636
6.770
9.339
9.245
7.146
5.514
8.372
 C
C
CB
CD2
NE2
NE2
CE1
NE2
 O3'
OP2
OP2
C7
O3'
OP2
OP2
CL
HIS G:31 G:31 8.0 0.041 H -62.3 -50.0 8.0 0.041 0.0 DA
DA
DT
DA
DA
DG
DT
CL
 8.877
6.621
5.084
8.991
6.538
6.774
9.351
7.873
 NE2
CE1
CE1
N
C
CB
CD2
NE2
 O3'
O3'
OP2
O3'
OP2
OP2
C7
CL
3mnn 3 Q6AZJ8 94.12 3e-76 X-RAY
 2011-04-06 HIS C:31 C:31 18.0 0.092 H -64.2 -44.1 18.0 0.092 0.0 DA
DA
DG
DT
DA
DA
DT
SO4
 8.720
6.645
6.539
9.175
9.299
6.981
5.193
8.326
 C
C
CB
CD2
NE2
CE1
CE1
NE2
 O3'
OP2
OP2
C7
O3'
O3'
OP2
O1
HIS G:31 G:31 20.0 0.103 H -64.9 -46.0 20.0 0.103 0.0 DA
DA
DT
DA
DA
DA
DG
DT
SO4
 9.478
6.563
4.794
9.742
8.837
6.478
6.301
9.223
8.088
 NE2
CE1
CE1
CE1
C
C
CB
CD2
NE2
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
C7
O2
1kx3 4 P06897 94.02 8e-75 X-RAY
 2002-12-25 HIS E:31 C:31 10.0 0.051 H -61.9 -45.9 10.0 0.051 0.0 DA
DA
DG
DT
DA
DA
DT
HOH
 8.998
6.601
6.693
9.641
8.915
6.847
5.090
3.997
 N
C
CB
CD2
NE2
CE1
CE1
CD2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
O
HIS I:31 G:31 15.0 0.077 H -63.2 -47.8 15.0 0.077 0.0 DA
DA
DT
DA
DA
DG
DT
HOH
 8.864
6.627
5.071
8.786
6.498
6.672
9.162
3.811
 NE2
NE2
CE1
C
C
CB
CD2
CB
 O3'
C3'
OP2
O3'
OP2
OP2
C7
O
1kx4 4 P06897 94.02 8e-75 X-RAY
 2002-12-25 HIS E:31 C:31 15.0 0.077 H -70.0 -37.0 15.0 0.077 0.0 DG
DA
DA
DC
DA
DC
DT
CL
HOH
 8.889
6.846
6.188
9.276
6.378
4.446
7.556
8.797
5.551
 C
C
CD2
CE1
CE1
NE2
NE2
CE1
CD2
 O3'
OP2
OP2
O3'
C3'
OP2
C7
CL
O
HIS I:31 G:31 22.0 0.113 H -66.1 -41.6 22.0 0.113 0.0 DA
DC
DA
DC
DA
DA
DA
CL
HOH
 9.430
6.334
4.615
8.942
8.965
6.821
6.485
8.414
4.518
 NE2
NE2
CE1
CE1
C
C
CB
NE2
CD2
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
CL
O
1kx5 5 P06897 94.02 8e-75 X-RAY
 2002-12-25 HIS E:31 C:31 14.0 0.072 H -64.1 -45.0 14.0 0.072 0.0 DA
DA
DG
DT
DA
DA
DT
CL
HOH
 9.036
6.655
6.918
9.403
8.869
6.893
5.331
8.170
3.525
 N
N
CB
CD2
NE2
NE2
CE1
NE2
NE2
 O3'
OP2
OP2
C7
O3'
O5'
OP2
CL
O
HIS I:31 G:31 14.0 0.072 H -62.7 -49.2 14.0 0.072 0.0 DA
DA
DT
DA
DA
DG
DT
CL
HOH
 8.815
6.731
5.198
8.849
6.689
6.836
9.253
8.029
3.599
 NE2
NE2
CE1
N
C
CB
CD2
NE2
CB
 O3'
O5'
OP2
O3'
OP2
OP2
C7
CL
O
3b6f 5 Q6AZJ8 94.02 8e-75 X-RAY
 2007-12-25 HIS E:31 C:31 32.0 0.164 H -64.1 -53.1 32.0 0.164 0.0 DA
DA
DG
DT
DA
DA
DT
DA
DC
 8.367
5.996
7.245
9.928
9.949
7.231
5.910
8.832
9.697
 N
C
CB
CE1
NE2
NE2
CE1
CE1
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
OP2
N4
HIS I:31 G:31 42.0 0.215 H -58.5 -28.5 42.0 0.215 0.0 DA
DA
DT
DA
DA
DA
DG
DT
 8.661
6.141
4.268
9.628
8.651
6.327
6.166
8.705
 NE2
NE2
CE1
CE1
N
C
CB
ND1
 O3'
C3'
OP2
N7
O3'
OP2
OP2
C7
3b6g 5 Q6AZJ8 94.02 8e-75 X-RAY
 2007-12-25 HIS E:31 C:31 22.0 0.113 H -61.3 -57.7 22.0 0.113 0.0 DA
DA
DG
DT
DA
DA
DT
DA
 8.554
6.293
6.830
9.420
9.838
6.908
5.524
9.375
 N
CB
CB
CD2
NE2
CE1
CE1
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP1
N6
HIS I:31 G:31 26.0 0.133 H -55.1 -28.8 26.0 0.133 0.0 DA
DA
DT
DA
DA
DA
DG
DT
 8.976
6.685
5.022
9.197
8.225
6.087
6.174
9.999
 NE2
NE2
CE1
CE1
C
N
CB
CD2
 O3'
C3'
OP2
OP2
O3'
OP1
OP2
C7
3lel 3 Q6AZJ8 94.02 8e-75 X-RAY
 2010-05-19 HIS C:31 C:31 10.0 0.051 H -60.3 -46.9 10.0 0.051 0.0 DA
DA
DG
DT
DA
DA
DT
 9.067
6.665
6.874
9.867
8.987
6.956
5.406
 CB
N
CB
CD2
NE2
NE2
CE1
 O3'
OP2
OP2
C7
O3'
O5'
OP2
HIS G:31 G:31 20.0 0.103 H -52.5 -47.2 20.0 0.103 0.0 DA
DA
DT
DC
DA
DA
DG
DT
 8.934
6.758
5.016
9.668
9.161
6.763
6.539
9.411
 NE2
NE2
CE1
CE1
N
N
CB
CE1
 O3'
O5'
OP2
N4
O3'
OP2
OP2
C7
HIS M:31 M:31 26.0 0.133 H -65.6 -28.2 NA NA NA
HIS Q:31 Q:31 21.0 0.108 H -68.3 -43.2 NA NA NA
3o62 3 P06897 94.02 8e-75 X-RAY
 2011-01-05 HIS C:31 C:31 23.0 0.118 H -59.2 -40.2 23.0 0.118 0.0 DA
DA
DG
DT
DG
DA
DA
DT
DA
DC
 8.572
6.299
6.143
8.133
9.792
9.818
5.634
4.448
8.801
9.297
 C
C
CD2
CD2
NE2
CE1
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
C7
O6
O3'
C3'
OP2
N7
N4
HIS G:31 G:31 25.0 0.128 H -57.6 -41.1 25.0 0.128 0.0 DT
DT
DA
DT
DT
DT
DC
DA
DC
DA
 9.261
6.191
4.141
7.540
9.356
6.841
6.031
8.795
9.697
9.810
 CE1
CE1
CE1
NE2
C
C
CB
CD2
NE2
NE2
 O3'
O3'
OP2
C7
O3'
OP2
OP2
N7
N4
N6
4j8u 3 P06897 94.02 8e-75 X-RAY
 2013-04-17 HIS C:31 C:31 14.0 0.072 H -58.7 -44.1 14.0 0.072 0.0 DA
DA
DG
DT
DA
DA
DT
SO4
 8.985
6.649
6.532
8.920
9.057
6.700
5.151
8.316
 N
C
CB
CD2
NE2
CE1
CE1
NE2
 O3'
OP2
OP2
C7
O3'
O3'
OP2
O1
HIS G:31 G:31 15.0 0.077 H -59.6 -41.6 15.0 0.077 0.0 DA
DA
DT
DA
DA
DA
DG
DT
SO4
 9.233
6.733
4.785
9.963
8.435
6.793
6.675
9.220
7.792
 NE2
CE1
CE1
CE1
C
C
CB
CD2
NE2
 O3'
O3'
OP2
OP2
O3'
OP2
OP2
C7
O2
4j8v 3 Q6AZJ8 94.02 8e-75 X-RAY
 2013-05-08 HIS C:31 C:31 15.0 0.077 H -60.4 -41.2 15.0 0.077 0.0 DA
DA
DT
SO4
 9.166
6.811
5.172
8.229
 NE2
CE1
CE1
NE2
 O3'
O3'
OP2
O1
HIS G:31 G:31 17.0 0.087 H -61.0 -48.5 NA NA NA
4j8w 3 Q6AZJ8 94.02 8e-75 X-RAY
 2013-04-17 HIS C:31 C:31 16.0 0.082 H -60.8 -44.2 16.0 0.082 0.0 DA
DA
DG
DT
DA
DA
DT
SO4
1MK
 8.959
6.643
6.477
8.978
9.064
6.796
5.125
8.282
9.930
 N
C
CB
CD2
NE2
CE1
CE1
NE2
O
 O3'
OP2
OP2
C7
O3'
O3'
OP2
O1
C22
HIS G:31 G:31 17.0 0.087 H -62.7 -45.8 17.0 0.087 0.0 DA
DA
DT
DA
DA
DG
DT
1MK
SO4
 9.236
6.830
4.921
8.404
6.781
6.776
9.377
9.755
7.852
 NE2
CE1
CE1
C
CB
CB
CD2
O
NE2
 O3'
O3'
OP2
O3'
OP2
OP2
C7
C22
O2
4j8x 3 Q6AZJ8 94.02 8e-75 X-RAY
 2013-05-08 HIS C:31 C:31 16.0 0.082 H -61.9 -40.0 16.0 0.082 0.0 DA
DA
DG
DT
SO4
 8.925
6.593
6.255
8.712
8.267
 N
C
CB
CD2
NE2
 O3'
OP2
OP2
C7
O1
HIS G:31 G:31 17.0 0.087 H -59.8 -46.8 NA NA NA
4xuj 3 Q6AZJ8 94.02 8e-75 X-RAY
 2016-01-27 HIS C:31 C:31 18.0 0.092 H -59.4 -50.4 18.0 0.092 0.0 DA
DA
DG
DT
DA
DA
DT
SO4
4A6
 8.533
6.224
6.605
8.880
9.185
6.803
5.155
7.940
9.991
 C
C
CB
CD2
NE2
CE1
CE1
NE2
O
 O3'
OP2
OP2
C7
O3'
O3'
OP2
O1
C8
HIS G:31 G:31 14.0 0.072 H -63.7 -50.0 14.0 0.072 0.0 DA
DA
DT
DA
DA
DA
DG
DT
4A6
SO4
 9.013
6.703
4.773
9.633
8.738
6.754
6.498
9.611
9.706
7.654
 NE2
CE1
CE1
CE1
C
C
CB
CD2
N
NE2
 O3'
O3'
OP2
OP2
O3'
OP2
OP2
C7
C8
O3
5cp6 5 Q6AZJ8 94.02 8e-75 X-RAY
 2016-06-01 HIS E:31 C:31 16.0 0.082 H -62.1 -46.8 16.0 0.082 0.0 DA
DA
DG
DT
DA
DA
DT
SO4
 8.793
6.645
6.630
9.006
9.389
6.822
5.241
8.266
 N
C
CB
CD2
NE2
CE1
NE2
NE2
 O3'
OP2
OP2
C7
O3'
O3'
OP2
O3
HIS I:31 G:31 17.0 0.087 H -59.0 -49.1 17.0 0.087 0.0 DA
DA
DT
DA
DA
DG
DT
SO4
 9.397
6.597
4.850
8.831
6.424
6.590
8.842
8.013
 NE2
CE1
CE1
C
C
CB
CD2
NE2
 O3'
O3'
OP2
O3'
OP2
OP2
C7
O4
5dnm 3 Q6AZJ8 94.02 8e-75 X-RAY
 2016-09-14 HIS C:31 C:31 17.0 0.087 H -63.7 -45.9 17.0 0.087 0.0 DA
DA
DG
DT
DA
DA
DT
SO4
 8.727
6.524
6.545
9.273
9.303
6.994
5.201
8.076
 C
N
CB
CD2
NE2
CE1
CE1
NE2
 O3'
OP1
OP2
C7
O3'
O3'
OP2
O4
HIS G:31 G:31 17.0 0.087 H -59.4 -45.3 17.0 0.087 0.0 DA
DA
DT
DA
DA
DA
DG
DT
SO4
 9.381
6.502
4.689
9.490
8.976
6.648
6.527
9.374
8.026
 NE2
NE2
CE1
CE1
C
C
CB
CD2
NE2
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
C7
O3
5dnn 3 Q6AZJ8 94.02 8e-75 X-RAY
 2016-09-14 HIS C:31 C:31 17.0 0.087 H -64.7 -46.2 17.0 0.087 0.0 DA
DA
DG
DT
DA
DA
DT
SO4
 8.774
6.598
6.563
9.250
9.197
7.017
5.196
8.079
 C
N
CB
CD2
NE2
CE1
CE1
NE2
 O3'
OP1
OP2
C7
O3'
C3'
OP2
O4
HIS G:31 G:31 18.0 0.092 H -59.7 -50.2 18.0 0.092 0.0 DA
DA
DT
DA
DA
DA
DG
DT
SO4
 9.416
6.512
4.735
9.512
8.945
6.598
6.395
9.193
8.123
 NE2
CE1
CE1
CE1
C
C
CB
CD2
NE2
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
C7
O3
5xf6 3 Q6AZJ8 94.02 8e-75 X-RAY
 2017-10-11 HIS C:31 C:31 16.0 0.082 H -60.4 -47.3 16.0 0.082 0.0 DA
DA
DG
DT
DA
DA
DT
SO4
 8.804
6.608
6.591
9.279
9.234
6.985
5.224
8.038
 C
N
CB
CD2
NE2
CE1
CE1
NE2
 O3'
OP1
OP2
C7
O3'
O3'
OP2
O4
HIS G:31 G:31 16.0 0.082 H -56.5 -47.2 16.0 0.082 0.0 DA
DA
DT
DA
DA
DA
DG
DT
SO4
 9.483
6.534
4.690
9.547
8.981
6.622
6.440
9.431
8.382
 NE2
NE2
CE1
CE1
C
C
CB
CD2
NE2
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
C7
O3
1aoi 4 P06897 93.97 4e-74 X-RAY
 1998-09-30 HIS E:28 C:31 16.0 0.082 H -53.5 -42.3 16.0 0.082 0.0 DA
DA
DG
DT
DA
DA
DT
DA
 9.023
6.628
6.911
9.297
9.469
7.022
5.039
9.868
 N
C
CB
CD2
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
N7
HIS I:28 G:31 9.0 0.046 H -63.9 -53.0 9.0 0.046 0.0 DA
DA
DT
DA
DA
DG
DT
 9.238
6.967
5.092
8.866
6.353
6.850
9.260
 NE2
CE1
CE1
C
C
CB
CD2
 O3'
O3'
OP2
O3'
OP2
OP2
C7
3x1t 4 Q8CGP4 89.34 8e-74 X-RAY
 2015-09-23 HIS E:31 C:31 19.0 0.097 H -60.6 -44.2 19.0 0.097 0.0 DA
DA
DA
DA
DT
DA
DC
CL
HOH
 9.033
6.690
6.962
9.280
6.831
5.078
9.621
8.445
9.011
 C
C
CB
CE1
NE2
NE2
CE1
CE1
O
 O3'
OP2
OP2
O3'
O3'
OP2
N4
CL
O
HIS I:31 G:31 10.0 0.051 H -61.9 -48.0 10.0 0.051 0.0 DA
DA
DT
DA
DA
DG
DT
MN
HOH
 9.247
6.451
4.856
8.799
6.409
6.500
9.031
8.077
7.078
 CE1
NE2
NE2
C
C
CB
ND1
CE1
N
 O3'
C3'
OP2
O3'
OP2
OP2
C7
MN
O
3x1u 4 Q8CGP4 89.34 8e-74 X-RAY
 2015-09-23 HIS E:31 C:31 49.0 0.251 H -65.7 -49.4 49.0 0.251 0.0 DA
DA
DA
DA
DT
DA
DC
HOH
 9.008
6.807
6.527
9.172
6.151
4.505
9.780
8.016
 C
CB
CB
CE1
NE2
NE2
NE2
CE1
 O3'
O5'
OP2
O3'
O3'
OP2
OP2
O
HIS I:31 G:31 24.0 0.123 H -65.7 -46.7 24.0 0.123 0.0 DA
DA
DT
DA
DA
DA
DG
DT
MN
 9.147
6.406
4.468
9.457
8.705
6.657
6.490
9.645
7.897
 CE1
NE2
NE2
NE2
C
N
CB
CE1
CE1
 O3'
O3'
OP2
OP2
O3'
OP1
OP2
C7
MN
3w96 3 P04908 94.69 2e-72 X-RAY
 2013-08-28 HIS C:26 C:31 20.0 0.103 H -67.8 -42.7 20.0 0.103 0.0 DA
DA
DA
DA
DT
DA
DC
 8.676
6.249
6.740
9.450
6.617
4.782
9.111
 C
C
CD2
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
O3'
O3'
OP2
C5
HIS G:26 G:31 31.0 0.159 H -60.1 -43.0 31.0 0.159 0.0 DA
DA
DT
DA
DA
DA
DG
DT
 9.598
6.414
4.608
9.208
8.768
6.709
6.307
9.009
 CE1
CE1
NE2
NE2
C
C
CB
CD2
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
C7
6iy2 3 Q6AZJ8 93.81 2e-72 EM
 2019-04-03 HIS C:23 C:31 32.0 0.164 H -72.1 -38.3 32.0 0.164 0.0 DT
DT
DG
DT
DA
DA
DA
DC
 9.260
7.030
6.326
9.515
9.502
6.532
4.620
9.010
 C
C
CB
CE1
NE2
NE2
NE2
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
HIS G:23 G:31 38.0 0.195 H -67.7 -38.3 38.0 0.195 0.0 DC
DG
DA
DC
DC
DT
DG
DA
 9.365
6.143
4.770
8.858
9.640
9.134
7.045
6.318
 CE1
NE2
NE2
CE1
CE1
C
C
ND1
 O3'
C3'
OP1
C5
N4
O3'
OP1
OP2
6iy3 3 Q6AZJ8 93.81 2e-72 EM
 2019-04-03 HIS C:23 C:31 37.0 0.19 H -67.3 -43.6 37.0 0.19 0.0 DT
DG
DT
DA
DA
DA
DC
 9.484
7.306
6.407
9.845
6.529
4.574
9.047
 C
CB
CB
NE2
NE2
CE1
CE1
 O3'
O5'
OP2
O3'
C3'
OP2
C5
HIS G:23 G:31 22.0 0.113 H -73.0 -36.1 22.0 0.113 0.0 DC
DG
DA
DC
DC
DT
DG
 9.615
6.587
4.686
8.261
9.511
7.081
6.384
 CE1
NE2
NE2
CE1
C
C
ND1
 O3'
C3'
OP2
N4
O3'
OP2
OP2
6r1t 3 Q6AZJ8 95.45 1e-71 EM
 2019-04-24 HIS C:22 C:31 54.0 0.277 H -64.9 -40.8 54.0 0.277 0.0 DG
DG
DA
DG
DT
DA
DG
DT
 8.969
6.889
6.161
9.797
6.761
4.587
8.456
9.474
 C
C
CB
CD2
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
N7
C3'
OP2
N7
O4
HIS G:22 G:31 46.0 0.236 H -63.7 -44.8 46.0 0.236 0.0 DC
DG
DA
DC
DA
DA
DT
DT
 9.679
6.838
5.290
9.379
8.953
6.770
6.810
8.530
 CE1
CE1
NE2
NE2
C
N
CB
CD2
 O3'
C3'
OP2
N4
O3'
OP1
OP2
C7
7lya 6 P04908 94.59 3e-71 EM
 2021-07-28 HIS I:21 C:31 16.0 0.082 H -60.5 -47.5 16.0 0.082 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 9.241
7.114
6.395
9.026
9.707
6.423
4.735
9.129
 C
C
ND1
ND1
NE2
NE2
NE2
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
N4
HIS J:21 G:31 31.0 0.159 H -59.5 -46.9 31.0 0.159 0.0 DC
DT
DA
DG
DG
DG
DA
 9.763
6.503
4.668
9.501
9.259
7.191
6.374
 CE1
NE2
NE2
CE1
C
C
ND1
 O3'
C3'
OP2
N7
O3'
OP2
OP2
7lyb 9 P04908 94.59 3e-71 EM
 2021-07-28 HIS L:21 C:31 24.0 0.123 H -60.8 -46.2 24.0 0.123 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 9.268
7.128
6.402
8.958
9.521
6.625
4.642
8.997
9.972
 C
C
CB
CD2
CE1
NE2
NE2
NE2
NE2
 O3'
OP1
OP2
C7
O3'
C3'
OP2
C5
N4
HIS M:21 G:31 33.0 0.169 H -60.2 -46.7 33.0 0.169 0.0 DC
DT
DA
DG
DG
DG
DA
 9.619
6.604
4.717
9.650
9.581
7.568
6.498
 CE1
NE2
NE2
NE2
C
C
CB
 O3'
C3'
OP2
N7
O3'
OP2
OP2
7lyc 8 P04908 94.59 3e-71 EM
 2021-06-16 HIS K:21 C:31 27.0 0.138 H -61.7 -44.6 27.0 0.138 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 9.093
6.903
6.085
8.476
9.497
6.325
4.522
8.817
9.975
 C
C
ND1
ND1
NE2
NE2
NE2
CE1
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
N4
N4
HIS L:21 G:31 27.0 0.138 H -62.5 -46.0 27.0 0.138 0.0 DC
DT
DA
DG
DG
DG
DA
DG
 9.476
6.475
4.637
9.373
9.065
6.832
6.029
9.977
 NE2
NE2
NE2
CE1
C
C
ND1
ND1
 O3'
C3'
OP2
N7
O3'
OP2
OP2
OP2
6y5e 6 Q16777 97.22 4e-71 EM
 2020-09-23 HIS G:21 G:32 35.0 0.179 H -52.2 -43.1 35.0 0.179 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
PTD
 9.030
6.076
4.439
8.962
9.784
9.877
7.707
6.219
9.697
9.671
9.148
 NE2
NE2
NE2
CE1
CE1
N
N
ND1
ND1
CE1
C
 O3'
O3'
OP2
N7
O4
O3'
OP1
OP2
N7
N6
C1
6fq5 3 Q6AZJ8 94.55 1e-70 EM
 2018-04-18 HIS C:23 C:31 33.0 0.169 H -62.2 -40.0 33.0 0.169 0.0 DG
DG
DA
DC
DT
DA
DG
DT
 8.963
6.743
6.349
9.739
6.155
3.815
8.390
9.387
 C
C
CB
CE1
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
O3'
O3'
OP2
N7
C7
HIS G:23 G:31 37.0 0.19 H -57.7 -41.2 37.0 0.19 0.0 DC
DG
DA
DC
DC
DA
DA
DT
DT
 9.295
6.125
3.877
8.880
9.820
8.994
6.882
6.439
8.618
 CE1
CE1
NE2
NE2
NE2
C
C
CB
NE2
 O3'
C3'
OP2
C5
N4
O3'
OP2
OP2
C7
6fq6 3 Q6AZJ8 94.55 1e-70 EM
 2018-04-18 HIS C:23 C:31 39.0 0.2 H -62.7 -38.4 39.0 0.2 0.0 DG
DG
DA
DA
DT
DA
DG
DT
 9.253
7.164
6.342
9.717
6.318
3.988
7.703
8.569
 N
N
CB
NE2
CE1
CE1
NE2
NE2
 O3'
OP1
OP2
N6
O3'
OP2
OP2
C7
HIS G:23 G:31 25.0 0.128 H -57.8 -39.8 25.0 0.128 0.0 DC
DG
DA
DC
DC
DA
DA
DT
DT
DG
 9.835
5.862
3.648
7.463
9.002
9.469
7.359
6.527
8.480
9.947
 CE1
CE1
CE1
NE2
NE2
N
N
CB
CD2
NE2
 O3'
O3'
OP2
C5
N4
O3'
OP1
OP2
C7
O6
6fq8 3 Q6AZJ8 94.55 1e-70 EM
 2018-04-18 HIS C:23 C:31 48.0 0.246 H -61.7 -38.5 48.0 0.246 0.0 DG
DG
DA
DG
DA
DT
DA
DG
DT
 8.873
6.626
6.058
9.170
9.102
6.540
4.181
7.409
7.889
 C
C
CB
NE2
NE2
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
O6
N6
O3'
OP2
N7
C7
HIS G:23 G:31 45.0 0.231 H -58.5 -42.5 45.0 0.231 0.0 DC
DG
DA
DC
DC
DA
DA
DT
DT
DG
 9.324
6.219
4.430
7.712
9.252
8.904
6.631
6.612
8.194
9.835
 CE1
CE1
NE2
NE2
NE2
N
N
CB
NE2
NE2
 O3'
C3'
OP2
C5
N4
O3'
OP2
OP2
C7
O6
6jma 4 Q6AZJ8 89.57 1e-70 EM
 2019-05-15 HIS E:18 C:31 10.0 0.051 H -61.9 -46.0 10.0 0.051 0.0 DA
DA
DG
DT
DA
DA
DT
 8.998
6.600
6.692
9.641
8.916
6.847
5.090
 N
C
CB
CD2
NE2
CE1
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
HIS I:18 G:31 14.0 0.072 H -63.2 -47.8 14.0 0.072 0.0 DA
DA
DT
DA
DA
DG
DT
 8.864
6.627
5.071
8.786
6.498
6.672
9.162
 NE2
NE2
CE1
C
C
CB
CD2
 O3'
C3'
OP2
O3'
OP2
OP2
C7
6y5e 3 Q16777 97.2 2e-70 EM
 2020-09-23 HIS C:21 C:32 19.0 0.097 H -58.6 -45.4 19.0 0.097 0.0 DA
DA
DT
DT
DC
DG
DA
DC
PTD
 9.887
7.716
6.625
8.671
8.923
5.823
4.523
9.145
9.738
 N
C
CB
ND1
NE2
NE2
NE2
CE1
O
 O3'
OP2
OP2
C7
O3'
C3'
OP2
N4
C1
6ipu 3 P04908 96.26 1e-69 X-RAY
 2020-01-15 HIS C:19 C:31 19.0 0.097 H -57.5 -47.4 19.0 0.097 0.0 DA
DA
DG
DT
DA
DA
DT
DA
CL
HOH
 8.812
6.658
6.435
9.258
9.589
6.624
4.927
9.954
8.558
9.037
 C
N
CB
CD2
NE2
CE1
CE1
CE1
NE2
N
 O3'
OP1
OP2
C7
O3'
O3'
OP2
OP2
CL
O
HIS G:19 G:31 16.0 0.082 H -56.2 -48.4 16.0 0.082 0.0 DA
DT
DA
DC
DA
DA
DA
CL
HOH
 9.899
6.410
4.455
9.080
8.691
6.372
6.254
8.646
9.936
 NE2
CE1
CE1
CE1
C
C
CB
NE2
N
 O3'
O3'
OP2
OP2
O3'
OP2
OP2
CL
O
3kwq 3 Q6AZJ8 95.33 1e-69 X-RAY
 2010-05-12 HIS C:18 C:31 11.0 0.056 H -56.2 -52.1 11.0 0.056 0.0 DA
DA
DG
DA
DA
DT
 8.774
6.490
6.969
9.472
7.371
5.356
 C
C
CB
NE2
CE1
CE1
 O3'
OP2
OP2
O3'
C3'
OP2
HIS G:18 G:31 11.0 0.056 H -64.8 -34.5 11.0 0.056 0.0 DA
DA
DT
DA
DA
DG
DT
HOH
 9.021
6.821
5.327
8.913
6.427
6.993
9.731
8.087
 NE2
NE2
CE1
C
C
CB
NE2
NE2
 O3'
C3'
OP2
O3'
OP2
OP2
C7
O
4xzq 3 Q6AZJ8 95.33 1e-69 X-RAY
 2015-10-14 HIS C:18 C:831 9.0 0.046 H -68.2 -35.9 9.0 0.046 0.0 DA
DA
DG
DT
DA
DA
DT
HOH
 8.995
6.668
7.119
9.694
8.895
6.868
5.401
8.090
 N
N
CB
CD2
NE2
NE2
NE2
NE2
 O3'
OP2
OP2
C7
O3'
O5'
OP2
O
HIS G:18 G:1031 15.0 0.077 H -64.8 -56.2 15.0 0.077 0.0 DA
DA
DT
DA
DA
DG
DT
HOH
 8.839
6.666
5.144
8.997
6.694
6.962
9.219
7.989
 NE2
CE1
CE1
N
C
CB
CD2
NE2
 O3'
C3'
OP2
O3'
OP2
OP2
C7
O
4ys3 3 Q6AZJ8 95.33 1e-69 X-RAY
 2015-10-14 HIS C:18 C:831 11.0 0.056 H -61.4 -34.5 11.0 0.056 0.0 DA
DA
DG
DA
DA
DT
HOH
 9.019
6.644
7.054
9.150
7.028
5.402
9.935
 N
C
CB
NE2
NE2
CE1
NE2
 O3'
OP2
OP2
O3'
O5'
OP2
O
HIS G:18 G:1031 11.0 0.056 H -50.0 -51.8 11.0 0.056 0.0 DA
DA
DT
DA
DA
DA
DG
DT
 8.951
6.693
4.991
9.890
8.961
6.582
7.019
9.327
 NE2
CE1
CE1
CE1
N
C
CB
CD2
 O3'
O3'
OP2
OP2
O3'
OP2
OP2
C7
4z66 3 Q6AZJ8 95.33 1e-69 X-RAY
 2015-10-14 HIS C:18 C:831 14.0 0.072 H -65.9 -35.7 14.0 0.072 0.0 DA
DA
DG
DT
DA
DA
DT
HOH
 9.187
6.839
7.152
9.747
9.067
6.963
5.309
6.915
 N
C
CB
CD2
NE2
NE2
NE2
O
 O3'
OP2
OP2
C7
O3'
C3'
OP2
O
HIS G:18 G:1031 13.0 0.067 H -62.0 -49.4 13.0 0.067 0.0 DA
DA
DT
DA
DA
DG
DT
HOH
 9.032
6.709
5.186
9.103
6.662
7.000
9.172
8.110
 NE2
NE2
CE1
N
C
CB
CD2
NE2
 O3'
C3'
OP2
O3'
OP2
OP2
C7
O
6jm9 5 Q6AZJ8 95.33 1e-69 EM
 2019-05-15 HIS E:18 C:31 9.0 0.046 H -61.9 -46.0 9.0 0.046 0.0 DA
DA
DG
DT
DA
DA
DT
 8.997
6.601
6.693
9.641
8.915
6.847
5.090
 N
C
CB
CD2
NE2
CE1
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
HIS I:18 G:31 15.0 0.077 H -63.2 -47.8 15.0 0.077 0.0 DA
DA
DT
DA
DA
DG
DT
 8.864
6.627
5.072
8.787
6.498
6.673
9.162
 NE2
NE2
CE1
C
C
CB
CD2
 O3'
C3'
OP2
O3'
OP2
OP2
C7
6ugm 3 Q6AZJ8 95.33 3e-69 EM
 2019-11-20 HIS C:20 C:31 29.0 0.149 H -72.7 -23.6 29.0 0.149 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
 9.617
6.358
4.362
8.735
9.447
8.771
6.776
6.248
9.934
 CE1
NE2
NE2
NE2
NE2
C
C
CB
CD2
 O3'
O3'
OP2
N7
C7
O3'
OP2
OP2
N7
HIS G:20 G:31 30.0 0.154 H -72.6 -23.6 30.0 0.154 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 8.980
6.754
6.257
7.638
9.395
6.181
4.279
8.605
 C
C
CB
CD2
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
6uh5 3 Q6AZJ8 95.33 3e-69 EM
 2019-11-20 HIS C:20 C:31 39.0 0.2 H -62.1 -19.0 39.0 0.2 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.399
6.278
4.163
8.512
9.593
9.135
6.855
6.255
 CE1
CE1
NE2
NE2
NE2
C
C
CB
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
HIS G:20 G:31 27.0 0.138 H -66.7 -27.3 27.0 0.138 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.988
6.954
6.290
8.581
9.439
6.240
4.298
8.279
9.305
 C
N
CB
NE2
CE1
CE1
NE2
NE2
NE2
 O3'
OP1
OP2
C7
O3'
C3'
OP2
C5
N4
7k6p 3 P06897 95.33 3e-69 EM
 2021-02-10 HIS C:20 C:31 26.0 0.133 H -62.5 -43.2 26.0 0.133 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 8.838
6.720
6.318
8.447
9.963
9.211
5.873
3.989
8.701
9.593
 C
C
ND1
ND1
CE1
CE1
NE2
NE2
CE1
CE1
 O3'
OP1
OP2
C7
O6
O3'
C3'
OP2
C5
N4
HIS G:20 G:31 31.0 0.159 H -62.0 -43.1 31.0 0.159 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DA
 8.964
5.819
4.165
8.592
9.058
8.926
6.777
6.366
9.977
 NE2
NE2
NE2
CE1
CE1
C
C
CB
CE1
 O3'
C3'
OP2
N7
C7
O3'
OP1
OP2
N6
7k6q 3 P06897 95.33 3e-69 EM
 2021-02-10 HIS C:20 C:31 33.0 0.169 H -62.4 -43.5 33.0 0.169 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.934
6.806
6.294
8.524
9.125
5.722
3.955
8.690
9.757
 C
C
ND1
ND1
CE1
NE2
NE2
CE1
CE1
 O3'
OP1
OP2
C7
O3'
C3'
OP2
C5
N4
HIS G:20 G:31 30.0 0.154 H -62.8 -42.6 30.0 0.154 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DA
 8.931
5.861
4.234
8.575
9.133
8.880
6.694
6.429
9.954
 NE2
NE2
CE1
CE1
CE1
C
C
CB
CE1
 O3'
C3'
OP2
N7
C7
O3'
OP1
OP2
N6
6iq4 3 P04908 96.23 6e-69 X-RAY
 2019-10-30 HIS C:18 C:31 30.0 0.154 H -60.9 -45.5 30.0 0.154 0.0 DA
DA
DG
DT
DA
DA
DT
DA
HOH
 8.919
6.572
6.510
9.296
9.356
6.446
4.872
9.773
9.434
 C
C
CB
CD2
NE2
CE1
CE1
CE1
NE2
 O3'
OP2
OP2
C7
O3'
O3'
OP2
OP2
O
HIS G:18 G:31 18.0 0.092 H -56.0 -50.1 18.0 0.092 0.0 DA
DT
DA
DC
DA
DA
DA
HOH
 9.717
6.504
4.523
9.206
8.879
6.443
6.429
9.354
 NE2
CE1
CE1
CE1
C
C
CB
NE2
 O3'
O3'
OP2
C5
O3'
OP2
OP2
O
6jxd 7 P04908 96.23 6e-69 X-RAY
 2020-01-15 HIS G:19 G:31 35.0 0.179 H -62.9 -46.3 35.0 0.179 0.0 DC
DT
DA
DG
DT
DG
DG
DA
HOH
 8.994
6.159
4.151
8.603
9.603
9.398
6.641
7.011
8.089
 NE2
NE2
CE1
CE1
CE1
C
CB
ND1
NE2
 O3'
C3'
OP2
N7
O4
O3'
C5'
OP2
O
6k00 2 P04255,P09588 86.55 6e-69 X-RAY
 2019-10-09 HIS C:119 D:146 15.0 0.077 H -58.5 -44.0 15.0 0.077 0.0
6k03 1 P04255,P09588 86.55 6e-69 X-RAY
 2019-10-09 HIS A:119 D:146 44.0 0.226 H -63.4 -45.4 44.0 0.226 0.0
6k09 2 P04255,P09588 86.55 6e-69 X-RAY
 2019-10-09 HIS C:119 D:146 10.0 0.051 H -64.3 -39.3 10.0 0.051 0.0 HOH
 8.461
 CE1
 O
6jxd 3 P04908 96.23 8e-69 X-RAY
 2020-01-15 HIS C:20 C:31 31.0 0.159 H -61.8 -36.5 31.0 0.159 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
HOH
 8.133
6.206
6.319
8.720
9.695
9.004
6.053
4.066
8.204
9.080
8.562
 C
C
ND1
ND1
CE1
NE2
NE2
NE2
CE1
CE1
CD2
 O3'
OP2
OP2
C7
O6
O3'
C3'
OP2
C5
N4
O
5g2e 2 P06897 95.28 9e-69 X-RAY
 2016-08-03 HIS C:20 C:31 18.0 0.092 H -72.8 -32.6 NA NA NA
HIS G:20 G:31 19.0 0.097 H -72.8 -32.6 NA NA NA
HIS K:20 K:31 19.0 0.097 H -72.8 -32.6 11.0 0.056 0.041 I:P25293:0.041
HIS O:20 O:31 18.0 0.092 H -72.8 -32.6 NA NA NA
HIS S:20 S:31 18.0 0.092 H -72.8 -32.6 NA NA NA
HIS W:20 W:31 18.0 0.092 H -72.9 -32.6 NA NA NA
6yn1 1 Q6AZJ8 95.28 9e-69 X-RAY
 2021-11-17 HIS A:20 A:31 41.0 0.21 H -61.4 -46.2 41.0 0.21 0.0 HOH
 8.288
 CB
 O
HIS F:20 F:31 7.0 0.036 H -62.9 -48.7 7.0 0.036 0.0 HOH
 7.912
 NE2
 O
HIS K:20 K:31 19.0 0.097 H -66.4 -49.1 NA NA NA
HIS P:20 P:31 24.0 0.123 H -64.6 -45.5 NA NA NA
HIS U:20 U:31 8.0 0.041 H -64.7 -43.6 NA NA NA
HIS Z:20 Z:31 12.0 0.062 H -67.3 -45.5 NA NA NA
HIS EA:20 e:31 7.0 0.036 H -64.6 -43.2 NA NA NA
HIS JA:20 j:31 24.0 0.123 H -61.1 -44.3 NA NA NA
6muo 3 Q93077 97.14 1e-68 EM
 2019-07-24 HIS C:19 C:31 37.0 0.19 H -71.2 -21.6 37.0 0.19 0.0 DA
DA
DA
DT
DA
DC
 8.124
5.899
6.651
7.005
5.092
9.998
 C
C
ND1
NE2
NE2
CE1
 O3'
OP1
OP2
O3'
OP2
N4
HIS G:19 G:31 37.0 0.19 H -69.1 -26.7 37.0 0.19 0.0 DA
DA
DT
DG
DG
DG
DA
 9.719
6.267
4.451
8.956
8.385
6.285
6.772
 NE2
NE2
NE2
CE1
C
N
CB
 O3'
C3'
OP2
N7
O3'
OP1
OP2
6mup 3 Q93077 97.14 1e-68 EM
 2019-07-24 HIS C:19 C:31 28.0 0.144 H -65.7 -38.1 28.0 0.144 0.0 DA
DA
DA
DT
DA
DC
 8.837
6.620
6.450
7.014
5.409
9.624
 C
C
ND1
NE2
NE2
CE1
 O3'
OP1
OP2
O3'
OP2
C5
HIS G:19 G:31 31.0 0.159 H -66.2 -24.1 31.0 0.159 0.0 DA
DA
DT
DG
DG
DG
DA
 9.485
6.155
4.284
9.172
8.830
6.595
6.707
 NE2
NE2
NE2
CE1
C
C
CB
 O3'
C3'
OP2
OP2
O3'
OP1
OP2
6ke9 3 P04908 96.19 4e-68 X-RAY
 2020-04-22 HIS C:18 C:31 28.0 0.144 H -61.4 -44.9 28.0 0.144 0.0 DT
DT
DA
DG
DT
DA
DA
DC
DC
HOH
 9.208
7.038
6.332
9.220
9.276
5.892
3.951
8.277
9.680
8.577
 C
N
CD2
CD2
CE1
CE1
NE2
NE2
NE2
CE1
 O3'
OP1
OP2
O6
O3'
O3'
OP2
OP2
N4
O
HIS G:18 G:31 26.0 0.133 H -61.3 -43.5 26.0 0.133 0.0 DG
DG
DT
DT
DA
DA
DC
DC
DC
DT
MN
HOH
 9.427
5.979
4.050
7.608
9.566
9.025
6.946
6.577
9.011
9.634
9.796
8.367
 CE1
CE1
NE2
NE2
NE2
C
N
CD2
CD2
NE2
NE2
CE1
 O3'
C3'
OP2
C7
N6
O3'
OP1
OP2
N4
O4
MN
O
6l9h 3 P04908 96.19 4e-68 X-RAY
 2020-04-22 HIS C:18 C:31 27.0 0.138 H -63.3 -37.4 27.0 0.138 0.0 DT
DT
DA
DG
DT
DA
DA
DC
HOH
 9.310
7.106
6.396
9.047
9.279
5.811
3.845
8.300
8.432
 C
N
CB
CD2
CE1
CE1
NE2
NE2
CE1
 O3'
OP1
OP2
O6
O3'
O3'
OP2
OP2
O
HIS G:18 G:31 27.0 0.138 H -63.5 -37.2 27.0 0.138 0.0 DG
DG
DT
DT
DA
DC
DC
DC
MN
HOH
 9.373
5.623
3.730
7.548
9.089
6.993
6.573
9.913
9.850
8.286
 CE1
CE1
NE2
NE2
C
N
CB
CD2
NE2
ND1
 O3'
C3'
OP2
C7
O3'
OP1
OP2
N4
MN
O
6le9 3 P04908 96.19 4e-68 X-RAY
 2020-04-22 HIS C:18 C:31 30.0 0.154 H -64.3 -37.1 30.0 0.154 0.0 DA
DC
DC
DC
DG
DG
DT
DT
DA
 9.350
7.224
6.413
9.652
9.200
6.019
3.972
8.508
9.965
 C
N
CB
CD2
CE1
CE1
NE2
NE2
NE2
 O3'
OP1
OP2
N4
O3'
O3'
OP2
C7
N6
HIS G:18 G:31 28.0 0.144 H -64.5 -36.1 28.0 0.144 0.0 DT
DA
DA
DC
DC
DT
DT
DA
DG
DG
 9.310
5.597
3.773
8.220
9.447
9.287
7.220
6.581
9.848
9.373
 CE1
CE1
NE2
NE2
NE2
C
C
CB
CD2
NE2
 O3'
C3'
OP2
OP2
N4
O3'
OP2
OP2
O6
O6
7ea5 3 Q6AZJ8 95.24 6e-68 EM
 2021-07-14 HIS C:19 C:31 33.0 0.169 H -68.4 -36.9 33.0 0.169 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 9.227
7.100
6.873
9.566
9.609
6.581
4.849
8.896
 C
C
CB
CE1
NE2
NE2
CE1
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
HIS G:19 G:31 49.0 0.251 H -66.8 -38.1 49.0 0.251 0.0 DC
DT
DA
DG
DG
DG
DA
 9.605
6.360
4.354
8.924
9.438
7.358
6.984
 NE2
NE2
CE1
CE1
C
C
CB
 O3'
C3'
OP2
OP2
O3'
OP2
OP2
7ktq 3 Q6AZJ8 95.24 6e-68 EM
 2021-02-03 HIS C:19 C:31 24.0 0.123 H -66.1 -42.0 24.0 0.123 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 9.107
6.723
6.503
9.013
9.463
6.438
4.600
8.992
 C
C
CB
CD2
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
HIS G:19 G:31 39.0 0.2 H -66.4 -42.2 39.0 0.2 0.0 DC
DT
DA
DG
DT
DG
DG
DA
 9.908
6.394
4.963
8.835
9.959
9.117
7.018
6.196
 NE2
NE2
NE2
CE1
CE1
C
N
ND1
 O3'
C3'
OP1
N7
O4
O3'
OP1
OP2
5mlu 3 P06897 95.24 6e-68 X-RAY
 2017-05-10 HIS C:18 C:31 15.0 0.077 H -64.0 -37.4 15.0 0.077 0.0 DG
DG
DA
DG
DC
DT
DA
DG
DT
HOH
 8.749
6.620
6.272
9.891
9.040
6.035
4.179
8.886
9.967
8.104
 C
N
CB
CD2
CE1
NE2
NE2
NE2
CD2
CE1
 O3'
OP1
OP2
O6
O3'
C3'
OP2
N7
O4
O
HIS G:18 G:31 27.0 0.138 H -65.9 -40.4 27.0 0.138 0.0 DC
DG
DA
DC
DC
DA
DA
DT
DT
DG
HOH
 9.054
5.997
4.232
8.599
9.182
8.799
6.721
6.314
8.667
9.853
8.202
 CE1
CE1
NE2
NE2
NE2
C
N
CB
CD2
NE2
CE1
 O3'
C3'
OP2
C5
N4
O3'
OP1
OP2
C7
O6
O
6z6p 11 P06897 95.24 6e-68 EM
 2021-02-17 HIS K:18 G:31 23.0 0.118 H -64.3 -29.4 23.0 0.118 0.0 DC
DT
DA
DG
DG
DG
DA
 9.092
5.410
3.331
9.327
9.733
7.472
7.336
 NE2
CE1
NE2
NE2
C
C
CB
 O3'
O3'
OP2
N7
O3'
OP2
OP2
2nqb 4 P84051 92.45 9e-68 X-RAY
 2007-09-11 HIS E:30 C:831 8.0 0.041 H -62.3 -42.6 8.0 0.041 0.0 DA
DA
DG
DA
DA
DT
HOH
 8.949
6.705
6.944
8.862
6.794
4.850
4.042
 N
C
CB
NE2
CE1
CE1
CD2
 O3'
OP2
OP2
O3'
C3'
OP2
O
HIS I:30 G:1031 13.0 0.067 H -58.2 -49.9 13.0 0.067 0.0 DA
DA
DT
DA
DA
DG
DT
HOH
 8.964
6.750
5.210
8.875
6.628
6.707
9.170
7.070
 NE2
CE1
CE1
C
C
CB
CD2
NE2
 O3'
C3'
OP2
O3'
OP2
OP2
C7
O
4qlc 5 P84051 92.45 9e-68 X-RAY
 2015-07-22 HIS E:30 C:30 25.0 0.128 H -61.5 -42.0 25.0 0.128 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
 8.896
6.744
6.064
8.391
9.531
9.761
6.378
4.379
7.070
 C
C
CD2
CD2
NE2
CE1
CE1
CE1
NE2
 O3'
OP1
OP2
C7
O6
O3'
C3'
OP2
N4
HIS I:30 G:30 21.0 0.108 H -57.4 -42.1 21.0 0.108 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 9.883
6.616
4.685
8.738
9.474
9.291
6.822
5.896
9.859
9.328
 NE2
NE2
NE2
CE1
CE1
C
C
ND1
CE1
CE1
 O3'
O3'
OP2
N7
O4
O3'
OP2
OP2
N7
N6
7pj1 1 P84051 92.45 9e-68 NMR
 2021-12-08 HIS A:30 A:30 43.0 0.221 H -60.7 -41.5 43.0 0.221 0.0
6dzt 3 P84051 92.45 9e-68 EM
 2019-05-22 HIS C:31 C:31 27.0 0.138 H -65.8 -43.5 27.0 0.138 0.0 DG
DG
DA
DG
DC
DT
DA
DG
DT
 9.009
6.835
6.259
9.958
9.118
6.167
4.327
8.836
9.837
 C
C
CB
CD2
CE1
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
N7
O3'
C3'
OP2
N7
O4
HIS G:31 G:31 25.0 0.128 H -65.2 -41.9 25.0 0.128 0.0 DC
DG
DA
DC
DC
DA
DA
DT
DT
 8.995
6.039
4.500
8.367
9.663
8.979
6.897
6.275
8.360
 CE1
CE1
NE2
NE2
NE2
C
C
CB
CD2
 O3'
C3'
OP2
C5
N4
O3'
OP2
OP2
C7
6pwe 3 P84051 92.45 9e-68 EM
 2019-08-21 HIS C:31 C:30 25.0 0.128 H -74.7 0.1 25.0 0.128 0.0 DG
DG
DA
DC
DT
DA
DG
 8.756
6.752
6.234
8.725
5.986
4.608
9.362
 C
C
CB
CE1
NE2
NE2
O
 O3'
OP2
OP2
O3'
C3'
OP2
OP2
HIS G:31 G:30 24.0 0.123 H -74.7 0.1 24.0 0.123 0.0 DC
DG
DA
DC
DA
DA
DT
DT
 9.531
5.809
4.375
9.534
8.562
6.515
6.464
8.866
 CE1
NE2
NE2
CE1
C
C
CB
ND1
 O3'
C3'
OP2
C5
O3'
OP1
OP2
C7
6pwf 3 P84051 92.45 9e-68 EM
 2019-08-21 HIS C:31 C:30 48.0 0.246 H -70.3 -17.8 48.0 0.246 0.0 DT
DG
DG
DC
DT
DA
DG
 8.623
6.213
6.530
9.197
5.709
3.531
9.339
 C
C
CB
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
O3'
C3'
OP2
N7
HIS G:31 G:30 34.0 0.174 H -68.6 -16.7 34.0 0.174 0.0 DC
DG
DA
DC
DA
DA
DT
DT
 9.270
6.150
5.541
9.263
9.404
7.194
6.540
9.941
 CE1
NE2
NE2
CE1
C
C
CB
ND1
 O3'
C3'
OP1
C5
O3'
OP2
OP2
C7
2pyo 5 P84051 92.45 1e-67 X-RAY
 2007-11-06 HIS E:30 C:30 13.0 0.067 H -68.1 -40.6 13.0 0.067 0.0 DA
DA
DG
DT
DA
DA
DT
CL
HOH
 8.903
6.690
6.827
9.631
8.995
6.889
5.281
8.445
8.873
 N
N
ND1
ND1
CE1
NE2
NE2
NE2
N
 O3'
OP2
OP2
C7
O3'
C3'
OP2
CL
O
HIS I:30 G:30 10.0 0.051 H -64.9 -43.6 10.0 0.051 0.0 DA
DA
DT
DA
DA
DG
DT
CL
 8.879
6.608
4.937
8.867
6.734
6.954
9.380
8.351
 CE1
NE2
NE2
N
C
CB
ND1
CE1
 O3'
C3'
OP2
O3'
OP2
OP2
C7
CL
7ea8 4 P20671 96.15 1e-67 EM
 2021-07-14 HIS D:18 C:31 37.0 0.19 H -68.4 -38.8 37.0 0.19 0.0 DA
DA
DT
DT
DG
DA
DC
DC
 9.310
7.103
6.672
8.780
6.785
4.780
8.882
9.911
 C
C
ND1
ND1
NE2
NE2
CE1
CE1
 O3'
OP2
OP2
C7
C3'
OP2
C5
N4
HIS H:18 G:31 40.0 0.205 H -67.1 -36.7 40.0 0.205 0.0 DT
DA
DG
DG
DG
DA
 6.615
4.576
9.322
9.681
7.462
6.673
 NE2
NE2
CE1
C
C
ND1
 C3'
OP2
N7
O3'
OP2
OP2
7ccq 3 P04908 96.12 6e-67 EM
 2020-10-07 HIS C:17 C:31 24.0 0.123 H -69.1 -35.4 24.0 0.123 0.0 DG
DG
DA
DC
DT
DA
DG
DT
 8.949
6.851
6.670
8.816
5.689
3.862
8.354
9.532
 C
C
CB
CE1
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
O3'
C3'
OP2
OP2
C7
HIS G:17 G:31 32.0 0.164 H -68.3 -38.5 32.0 0.164 0.0 DC
DG
DA
DC
DC
DA
DA
DT
DT
DG
 9.128
5.539
3.977
8.261
9.158
8.684
6.667
6.458
8.645
9.925
 CE1
CE1
NE2
NE2
NE2
C
C
CB
CD2
NE2
 O3'
C3'
OP2
C5
N4
O3'
OP1
OP2
C7
O6
7ccr 3 P04908 96.12 6e-67 EM
 2020-10-07 HIS C:17 C:31 34.0 0.174 H -68.6 -38.4 34.0 0.174 0.0 DG
DG
DA
DG
DA
DC
DT
DA
DG
DT
 7.992
5.943
6.731
9.987
9.714
8.819
5.643
3.954
8.101
9.220
 C
C
CB
NE2
NE2
CE1
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
O6
N6
O3'
C3'
OP2
N7
C7
HIS G:17 G:31 27.0 0.138 H -67.1 -39.4 27.0 0.138 0.0 DC
DG
DA
DC
DC
DA
DA
DT
DT
DG
 8.775
5.778
4.696
8.560
9.208
8.524
6.491
6.277
8.206
9.720
 CE1
CE1
NE2
NE2
NE2
C
C
CB
NE2
NE2
 O3'
C3'
OP2
C5
N4
O3'
OP2
OP2
C7
O6
HIS N:17 N:31 37.0 0.19 H -68.5 -38.4 37.0 0.19 0.0 DG
DG
DA
DG
DA
DC
DT
DA
DG
DT
 7.992
5.943
6.730
9.986
9.714
8.819
5.643
3.953
8.101
9.219
 C
C
CB
NE2
NE2
CE1
CE1
CE1
NE2
NE2
 O3'
OP2
OP2
O6
N6
O3'
C3'
OP2
N7
C7
HIS R:17 R:31 28.0 0.144 H -67.1 -39.4 28.0 0.144 0.0 DC
DG
DA
DC
DC
DA
DA
DT
DT
DG
 8.774
5.778
4.695
8.560
9.207
8.524
6.491
6.277
8.206
9.719
 CE1
CE1
NE2
NE2
NE2
C
C
CB
NE2
NE2
 O3'
C3'
OP2
C5
N4
O3'
OP2
OP2
C7
O6
5wcu 3 P84051 93.27 1e-66 X-RAY
 2018-10-31 HIS C:17 C:31 32.0 0.164 H -62.0 -45.3 32.0 0.164 0.0 DA
DA
DT
DT
DG
DG
DC
DG
DA
DC
DC
 8.809
6.763
5.570
6.786
8.367
9.650
9.120
5.737
4.368
7.811
7.894
 C
C
CB
ND1
CE1
CE1
NE2
NE2
NE2
CE1
CE1
 O3'
OP2
OP2
C7
O6
O6
O3'
C2'
OP2
N4
N4
HIS G:17 G:31 28.0 0.144 H -61.7 -45.2 28.0 0.144 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
DC
 8.976
5.615
3.869
8.768
9.173
9.214
7.122
5.755
8.941
9.896
9.827
 NE2
NE2
NE2
CE1
CE1
C
C
ND1
ND1
CE1
CE1
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
N7
N6
N4
HIS M:17 M:31 41.0 0.21 H -62.1 -45.6 NA NA NA
HIS Q:17 Q:31 36.0 0.185 H -61.8 -45.3 NA NA NA
6z6p 7 Q6AZJ8 95.15 1e-66 EM
 2021-02-17 HIS G:16 C:31 24.0 0.123 H -64.5 -43.1 24.0 0.123 0.0 DA
DA
DT
DT
DG
DA
DC
DC
 8.234
6.028
7.045
8.499
6.812
4.520
8.271
9.719
 C
C
CB
CD2
CE1
NE2
NE2
NE2
 O3'
OP1
OP2
C7
O3'
OP2
C5
N4
4x23 5 P84051 93.14 2e-65 X-RAY
 2014-12-10 HIS E:16 C:30 17.0 0.087 H -61.6 -38.7 17.0 0.087 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 9.124
6.873
6.196
8.327
9.467
9.141
5.839
4.130
7.715
9.164
 N
N
CB
CD2
NE2
CE1
CE1
NE2
NE2
NE2
 O3'
OP1
OP2
C7
O6
O3'
C3'
OP2
N4
N4
HIS I:16 G:30 34.0 0.174 H -62.1 -37.8 34.0 0.174 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 9.424
6.223
4.442
8.545
9.347
9.032
6.860
5.831
9.673
9.876
 NE2
NE2
NE2
CE1
CE1
C
N
ND1
CE1
CE1
 O3'
C3'
OP2
N7
O4
O3'
OP1
OP2
O6
N6
HIS Q:16 M:30 21.0 0.108 H -62.2 -37.5 NA NA NA
HIS U:16 Q:30 27.0 0.138 H -62.5 -37.2 NA NA NA
6nzo 3 P0CH09,Q6AZJ8 89.62 9e-64 EM
 2019-08-28 HIS C:123 C:31 38.0 0.195 H -63.3 -41.0 38.0 0.195 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 9.345
6.180
4.390
8.554
9.170
9.025
6.800
6.124
9.807
9.648
 CE1
CE1
NE2
NE2
NE2
C
C
CB
NE2
NE2
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
N7
N6
HIS G:123 G:31 27.0 0.138 H -61.4 -39.8 27.0 0.138 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 9.033
6.838
6.454
8.905
9.072
5.991
4.586
8.231
9.516
 C
C
CB
NE2
CE1
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
N4
6px1 3 P0CH09,Q6AZJ8 89.62 9e-64 EM
 2019-08-28 HIS C:123 C:31 29.0 0.149 H -61.6 -43.4 29.0 0.149 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 9.356
6.199
4.405
8.694
9.485
8.961
6.729
5.983
9.555
9.852
 CE1
CE1
NE2
NE2
NE2
C
C
CB
CD2
NE2
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
N7
N6
HIS G:123 G:31 26.0 0.133 H -62.1 -41.5 26.0 0.133 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 8.919
6.810
6.102
7.968
9.189
6.133
4.616
8.290
9.429
 C
C
CB
CD2
CE1
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
N4
6px3 3 P0CH09,Q6AZJ8 89.62 9e-64 EM
 2019-08-28 HIS C:123 C:31 38.0 0.195 H -63.3 -41.0 38.0 0.195 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
DA
 9.344
6.180
4.390
8.554
9.169
9.025
6.800
6.124
9.807
9.647
 CE1
CE1
NE2
NE2
NE2
C
C
CB
NE2
NE2
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
N7
N6
HIS G:123 G:31 26.0 0.133 H -61.5 -39.8 26.0 0.133 0.0 DA
DA
DT
DT
DC
DG
DA
DC
DC
 9.033
6.839
6.454
8.904
9.072
5.991
4.586
8.230
9.515
 C
C
CB
NE2
CE1
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
C7
O3'
C3'
OP2
C5
N4
4kud 3 P04912 82.57 4e-62 X-RAY
 2013-08-07 HIS C:33 C:32 23.0 0.118 H -58.0 -41.7 23.0 0.118 0.0 DA
DA
DG
DT
DA
DA
DT
HOH
 9.222
6.866
6.473
8.327
9.825
6.934
5.185
9.065
 C
C
CD2
CD2
NE2
CE1
CE1
CE1
 O3'
OP2
OP2
C7
O3'
C3'
OP1
O
HIS G:33 G:32 16.0 0.082 H -66.7 -43.8 16.0 0.082 0.0 DA
DA
DT
DA
DA
DA
DG
DT
HOH
 9.822
6.877
4.823
9.596
8.822
6.570
6.130
8.361
8.773
 NE2
NE2
NE2
CE1
C
C
ND1
ND1
NE2
 O3'
C3'
OP2
N7
O3'
OP2
OP2
C7
O
4jjn 3 P04912 82.57 5e-62 X-RAY
 2013-05-15 HIS C:32 C:32 12.0 0.062 H -61.8 -37.9 12.0 0.062 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DA
 9.134
6.214
4.347
8.866
9.721
9.254
7.101
6.244
9.599
 NE2
NE2
NE2
CE1
CE1
N
C
ND1
CE1
 O3'
O3'
OP2
N7
O4
O3'
OP2
OP2
N6
HIS G:32 G:32 21.0 0.108 H -64.1 -37.7 21.0 0.108 0.0 DA
DA
DT
DT
DG
DC
DG
DA
DC
DC
 9.134
6.993
6.281
8.245
9.735
9.089
6.179
4.371
8.253
9.515
 C
C
CD2
CD2
NE2
CE1
CE1
NE2
NE2
NE2
 O3'
OP2
OP2
C7
O6
O3'
C3'
OP2
N4
N4
6qld 19 P04911 84.76 5e-61 EM
 2019-10-02 HIS T:17 g:33 24.0 0.123 H -69.5 -35.6 24.0 0.123 0.0 DC
DT
DA
DG
DT
DG
DG
DA
DG
 9.494
7.238
5.510
9.806
9.876
8.486
6.308
6.804
8.930
 CE1
CE1
CE1
NE2
NE2
C
C
CB
CD2
 O3'
C3'
OP2
N7
O4
O3'
OP2
OP2
N7
6kbb 1 P20671 94.74 3e-60 X-RAY
 2020-01-29 HIS A:21 C:31 70.0 0.359 H -57.7 -48.6 70.0 0.359 0.0 HOH
 5.582
 CE1
 O
HIS D:21 A:31 36.0 0.185 H -57.6 -47.7 NA NA NA
6w4l 1 P02281,P06897 96.74 2e-59 X-RAY
 2020-05-06 HIS A:113 A:1032 33.0 0.169 H -60.3 -46.5 33.0 0.169 0.0 HOH
 4.500
 ND1
 O
2xql 1 P02263 97.8 8e-59 EM
 2010-11-03 HIS A:17 A:31 18.0 0.092 H -65.8 -40.2 18.0 0.092 0.0
HIS C:17 C:31 19.0 0.097 H -65.8 -40.2 19.0 0.097 0.0
HIS E:17 E:31 19.0 0.097 H -65.8 -40.2 19.0 0.097 0.0
HIS G:17 G:31 19.0 0.097 H -65.8 -40.2 19.0 0.097 0.0
HIS I:17 I:31 17.0 0.087 H -65.8 -40.2 17.0 0.087 0.0
5vey 1 P06899,P04908 94.68 8e-59 NMR
 2017-05-17 HIS A:120 A:120 34.0 0.174 H -58.4 -42.0 34.0 0.174 0.0
6k01 1 Q6AZJ8 95.65 1e-58 X-RAY
 2019-10-09 HIS A:18 C:32 39.0 0.2 H -66.1 -43.7 39.0 0.2 0.0
6qld 21 P04911 84.31 2e-58 EM
 2019-10-02 HIS V:17 i:33 26.0 0.133 H -65.3 -32.3 26.0 0.133 0.0 DA
DA
DT
DT
DC
DG
DA
DC
 9.501
7.446
6.309
7.954
9.748
5.703
3.614
9.456
 C
C
CD2
CD2
CE1
CE1
CE1
NE2
 O3'
OP2
OP2
C7
O3'
O3'
OP2
C5
4kha 2 Q6AZJ8 94.44 1e-56 X-RAY
 2013-05-29 HIS B:21 B:31 5.0 0.026 H -63.4 -47.7 5.0 0.026 0.0 CL
HOH
 7.295
3.139
 H
HB3
 CL
O
7dlx 1 B3LG63,B3LG62 83.51 3e-56 X-RAY
 2021-06-16 HIS A:128 A:162 21.0 0.108 H -66.1 -40.1 21.0 0.108 0.0 HOH
 4.484
 NE2
 O
HIS B:128 B:162 19.0 0.097 H -67.0 -46.0 NA NA NA
HIS C:128 C:162 5.0 0.026 H -62.3 -42.8 NA NA NA
HIS D:128 D:162 22.0 0.113 H -66.7 -39.3 NA NA NA
HIS E:128 E:162 22.0 0.113 H -62.5 -46.5 NA NA NA
HIS F:128 F:162 12.0 0.062 H -67.8 -32.3 NA NA NA
HIS G:128 G:162 5.0 0.026 H -65.8 -34.9 NA NA NA
HIS H:128 H:162 22.0 0.113 H -59.9 -34.4 NA NA NA
7bp2 1 Q9LD28 82.61 3e-51 X-RAY
 2020-11-11 ALA A:20 A:31 1.0 0.009 H -58.2 -47.5 1.0 0.009 0.0 SO4
HOH
 7.192
3.905
 CB
CB
 O1
O
ALA C:20 C:31 2.0 0.017 H -62.5 -40.0 NA NA NA
7bp4 1 Q9LD28 82.61 3e-51 X-RAY
 2020-11-11 ALA A:20 G:33 30.0 0.261 H -60.6 -41.7 30.0 0.261 0.0 HOH
 2.907
 N
 O
ALA D:20 A:33 13.0 0.113 H -60.9 -35.3 NA NA NA
7bp5 1 Q9LD28 82.61 3e-51 X-RAY
 2020-11-11 ALA A:20 A:33 34.0 0.296 H -55.7 -48.5 34.0 0.296 0.0 HOH
 2.722
 O
 O
7bp6 1 Q9LD28 82.61 3e-51 X-RAY
 2020-11-11 ALA A:20 C:33 10.0 0.087 H -57.5 -47.4 10.0 0.087 0.0 HOH
 3.874
 CB
 O
7c7x 1 Q9LD28 82.61 3e-51 X-RAY
 2020-11-11 ALA A:20 C:31 27.0 0.235 H -48.6 -53.1 27.0 0.235 0.0 HOH
 6.087
 O
 O
ALA E:20 A:31 14.0 0.122 H -58.8 -46.2 14.0 0.122 0.0 HOH
 7.931
 C
 O
6m2m 1 O81826 81.52 6e-51 X-RAY
 2020-10-21 ALA A:20 E:33 16.0 0.139 H -62.7 -45.7 16.0 0.139 0.0
ALA B:20 A:33 14.0 0.122 H -63.7 -40.7 14.0 0.122 0.0 GOL
HOH
 7.381
9.996
 N
N
 O3
O
ALA C:20 C:33 31.0 0.27 H -57.1 -43.1 31.0 0.27 0.0 GOL
 7.307
 N
 O3
ALA E:20 G:33 24.0 0.209 H -52.9 -48.8 23.0 0.2 0.009 D:Q9LQQ4:0.009
 HOH
 9.157
 N
 O
ALA F:20 I:33 37.0 0.322 H -60.6 -48.2 36.0 0.313 0.009 I:Q9LQQ4:0.009
ALA G:20 K:33 38.0 0.33 H -56.4 -44.0 38.0 0.33 0.0

AlphaFold DB

Entity Residue Monomer View
ID Entity Uniprot Identity Evalue Name Label Auth ASA rASA SS φ ψ
af-p16104-f1 1 P16104 100.0 5e-100 HIS A:32 A:32 34.0 0.174 H -58.8 -43.6
af-q8iue6-f1 1 Q8IUE6 95.93 4e-81 HIS A:32 A:32 33.0 0.169 H -58.8 -44.1
af-q16777-f1 1 Q16777 95.12 1e-80 HIS A:32 A:32 34.0 0.174 H -57.9 -45.1
af-q96qv6-f1 1 Q96QV6 93.5 1e-80 HIS A:32 A:32 33.0 0.169 H -57.7 -44.0
af-q9btm1-f1 1 Q9BTM1 95.12 2e-80 HIS A:32 A:32 15.0 0.077 H -59.1 -44.9
af-q6fi13-f1 1 Q6FI13 95.12 2e-80 HIS A:32 A:32 33.0 0.169 H -57.8 -44.9
af-q93077-f1 1 Q93077 95.93 3e-80 HIS A:32 A:32 33.0 0.169 H -58.5 -45.0
af-q99878-f1 1 Q99878 95.12 4e-80 HIS A:32 A:32 34.0 0.174 H -58.9 -44.7
af-q96kk5-f1 1 Q96KK5 95.12 4e-80 HIS A:32 A:32 32.0 0.164 H -58.2 -44.8
af-p0c0s8-f1 1 P0C0S8 95.12 4e-80 HIS A:32 A:32 35.0 0.179 H -58.3 -44.6
af-q7l7l0-f1 1 Q7L7L0 95.12 7e-80 HIS A:32 A:32 32.0 0.164 H -58.8 -44.3
af-p20671-f1 1 P20671 94.31 1e-79 HIS A:32 A:32 33.0 0.169 H -58.4 -44.6
af-p04908-f1 1 P04908 94.31 2e-79 HIS A:32 A:32 33.0 0.169 H -58.1 -44.3