Variant

Genome Chromosome Position VCF ID Ref Alt mRNA Change mRNA Info
GRCh37 chr1 226253376 . C A CCDS1550.1:NM_002107.4:c.148Cgt>Agt_NP_002098.1:p.50R>S Homo sapiens H3 histone family member 3A (H3F3A), 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)
4hga 2 P84243 100.0 4e-96 X-RAY
2012-11-07 ARG B:50 B:49 133.0 0.591 H -49.6 -47.1 79.0 0.351 0.24 C:P62805:0.018
A:Q9UER7:0.231
HOH
4.495
NH2
O
6ltj 1 Q6PI79 100.0 4e-96 EM
2020-02-12 ARG A:50 A:46 158.0 0.702 H -65.9 -42.7 158.0 0.702 0.0 DC
DG
DC
9.572
7.275
5.640
N
N
NH2
O3'
OP1
OP1
ARG E:50 E:49 158.0 0.702 H -65.9 -42.7 158.0 0.702 0.0 DG
DT
DG
9.004
6.955
5.803
N
N
NH2
O3'
OP1
OP2
6r0c 1 P84243 100.0 4e-96 EM
2019-09-25 ARG A:50 A:49 110.0 0.489 H -62.8 -42.7 110.0 0.489 0.0 DC
DC
DT
DG
DT
DT
DG
8.227
7.657
5.554
3.463
4.262
8.468
7.385
CD
CD
NH2
NH2
NE
CD
NH1
C5'
OP1
O3'
C5'
OP1
OP1
OP2
ARG E:50 E:49 125.0 0.556 H -59.7 -42.3 125.0 0.556 0.0 DG
DG
DT
DT
DC
DG
DT
DC
DC
DC
DT
DG
7.577
5.603
3.483
3.478
9.166
9.890
7.967
7.878
8.727
6.052
4.764
7.500
NH2
NH1
NH1
CD
CG
N
N
NH1
NH2
NH2
NH2
NH2
N2
O3'
C4'
OP1
OP2
O3'
OP1
OP2
O2
O3'
C5'
OP1
6rny 1 P84243 100.0 4e-96 EM
2019-09-25 ARG A:50 A:49 135.0 0.6 H -66.1 -30.3 135.0 0.6 0.0 DA
DG
DC
DC
DC
DG
DG
DC
DT
DG
DT
DC
DT
DG
8.954
4.940
5.670
5.270
7.716
8.790
5.642
4.657
3.387
3.717
8.127
9.615
7.177
8.147
NH1
NH2
NH2
NH2
NH2
NH2
NH2
NH2
NH1
NH1
O
N
N
NE
C2
N2
O2
O4'
C5'
N2
N2
O2
C4'
C5'
OP1
O3'
OP1
OP1
ARG E:50 E:49 138.0 0.613 H -66.2 -30.3 138.0 0.613 0.0 DG
DT
DC
DC
DA
DG
DG
DT
DC
DT
DG
DG
DA
9.685
7.305
8.094
8.167
5.563
4.007
3.778
7.458
9.376
6.996
6.748
5.264
5.793
N
N
NE
NH2
NH2
NH1
NH1
NH1
NH1
NH2
NH2
NH2
NH2
O3'
OP1
OP1
O2
N3
O3'
C5'
OP1
O2
O2
N2
C5'
OP1
3av2 1 P84243 100.0 5e-96 X-RAY
2011-06-01 ARG A:53 A:49 101.0 0.449 H -60.1 -37.2 101.0 0.449 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DA
DA
DC
DA
9.769
7.522
6.285
6.906
8.811
5.478
3.267
2.745
8.848
6.443
4.551
9.542
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
N
NH2
NH2
NH2
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
O3'
C3'
OP2
OP2
ARG E:53 E:49 110.0 0.489 H -65.1 -38.8 110.0 0.489 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.261
5.584
3.344
3.157
7.727
8.768
6.788
5.350
9.153
6.817
6.114
7.323
2.950
NH1
NH2
CD
CD
O
N
N
NH2
NH1
NH1
NH1
NH2
O
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C4'
OP1
O
5b32 1 P84243 100.0 5e-96 X-RAY
2016-08-03 ARG A:53 A:49 106.0 0.471 H -69.7 -40.5 106.0 0.471 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
8.869
7.171
6.036
7.470
9.540
5.330
3.610
3.487
8.041
9.058
6.841
5.750
CD
CD
CD
NH1
NH1
NH1
NE
NE
O
N
N
NH1
O2
O3'
C5'
OP1
O2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
ARG E:53 E:49 116.0 0.516 H -65.9 -38.5 116.0 0.516 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
8.931
6.655
3.397
3.165
8.292
8.935
6.760
6.962
7.918
6.467
4.941
6.147
2.885
NH2
NH1
CD
CG
O
N
N
NE
NH1
NH1
NH2
NH2
O
C2
O2
O3'
OP1
OP1
O3'
OP1
OP2
C2
O3'
C5'
OP1
O
5b33 1 P84243 100.0 5e-96 X-RAY
2016-08-03 ARG A:53 A:49 101.0 0.449 H -65.9 -40.0 101.0 0.449 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
9.682
7.507
5.676
6.799
8.984
5.472
3.381
2.818
9.612
8.941
6.661
4.806
9.255
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CD
N
NH2
NH2
NH2
O2
O3'
C5'
OP1
O2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP1
ARG E:53 E:49 114.0 0.507 H -61.2 -37.4 114.0 0.507 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DC
DA
DT
DT
DG
9.209
5.508
3.229
2.976
7.751
9.112
6.794
4.883
9.952
9.425
7.571
5.842
6.929
NH1
NH2
CD
CD
O
N
NH2
NH2
NH2
NH1
NH1
NH1
NH1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP2
C2
O3'
C5'
OP1
5x7x 1 P84243 100.0 5e-96 X-RAY
2017-04-19 ARG A:53 A:49 91.0 0.404 H -55.5 -43.0 91.0 0.404 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
HOH
9.151
7.905
5.995
6.990
9.461
5.636
3.045
3.233
8.013
9.103
6.737
5.291
9.899
2.855
CD
NH1
NH1
NH1
NH1
NH2
CD
CD
O
N
NH2
NH2
NH2
O
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
OP2
O
ARG E:53 E:49 109.0 0.484 H -52.9 -46.6 109.0 0.484 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
8.796
5.556
3.105
3.102
7.954
9.051
6.836
5.254
8.466
7.239
5.425
6.955
3.656
NH2
NH1
CD
CG
O
N
N
NH1
NH2
NH2
NH2
NH2
CA
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
C2
O2
C4'
OP1
O
5xm0 1 P84244 100.0 5e-96 X-RAY
2018-03-07 ARG A:53 A:49 95.0 0.422 H -61.5 -37.1 95.0 0.422 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
9.662
7.449
5.806
6.338
8.611
5.751
3.856
3.051
9.384
8.972
6.806
5.340
9.999
NH2
NH2
NH2
NH2
NH2
NH1
NE
CG
CG
N
N
NH1
NH1
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
OP2
ARG E:53 E:49 116.0 0.516 H -62.6 -36.9 116.0 0.516 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
9.476
5.574
3.476
2.980
7.953
8.950
6.860
5.284
9.684
7.495
6.348
7.034
NH1
NH2
CD
CD
CD
N
N
NH2
NH1
CD
NH1
NH1
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C4'
OP1
6a5l 16 P84243 100.0 5e-96 EM
2018-10-03 ARG P:53 a:49 108.0 0.48 H -66.0 -40.8 108.0 0.48 0.0 DG
DT
DG
DG
DT
DT
8.985
7.053
6.464
3.355
3.397
9.165
NH2
NH2
NH2
CD
CG
CG
O3'
OP2
OP2
O3'
OP1
OP2
ARG T:53 e:49 133.0 0.591 H -64.7 -39.7 133.0 0.591 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DG
9.589
6.816
2.713
2.566
7.435
9.398
7.081
6.335
9.217
6.743
6.018
8.765
NH1
NH2
NE
NE
O
NH1
NH1
NH2
CD
CD
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O2
O3'
C5'
OP1
6a5o 16 P84243 100.0 5e-96 EM
2018-10-03 ARG P:53 a:49 133.0 0.591 H -68.5 -37.5 133.0 0.591 0.0 DT
DG
DT
DT
DG
DT
DG
DC
7.055
3.132
3.143
7.690
8.475
6.373
4.445
9.825
NH1
CD
CG
O
NH2
NH2
NH2
NH2
O3'
O3'
OP1
OP2
O3'
C3'
OP2
OP2
ARG T:53 e:49 111.0 0.493 H -64.0 -36.9 111.0 0.493 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DG
DT
DC
DT
DG
9.754
7.450
3.464
3.110
8.198
8.794
6.487
4.792
9.786
9.967
7.964
6.158
7.064
NH1
NH2
NE
NE
O
NH1
NH1
NH2
NH2
CD
CD
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
OP2
O2
O3'
C4'
OP1
6a5p 16 P84243 100.0 5e-96 EM
2018-10-03 ARG P:53 a:49 133.0 0.591 H -68.6 -37.4 133.0 0.591 0.0 DG
DT
DG
8.759
6.766
5.444
NH2
NH1
NH2
O3'
OP1
OP2
ARG T:53 e:49 111.0 0.493 H -64.0 -36.9 111.0 0.493 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DG
9.595
7.558
3.426
3.309
7.812
9.184
6.954
5.457
9.555
8.257
6.961
7.640
NH1
NH2
NE
NE
O
N
N
NH2
CD
CD
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O2
O3'
C5'
OP1
6a5r 16 P84243 100.0 5e-96 EM
2018-10-03 ARG P:53 a:49 131.0 0.582 H -68.6 -37.4 131.0 0.582 0.0 DG
DT
DG
8.759
6.766
5.444
NH2
NH1
NH2
O3'
OP1
OP2
ARG T:53 e:49 110.0 0.489 H -64.0 -37.0 110.0 0.489 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DG
9.595
7.558
3.426
3.309
7.813
9.184
6.954
5.458
9.555
8.256
6.960
7.640
NH1
NH2
NE
NE
O
N
N
NH2
CD
CD
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O2
O3'
C5'
OP1
6a5t 16 P84243 100.0 5e-96 EM
2018-10-03 ARG P:53 a:49 110.0 0.489 H -66.1 -40.7 110.0 0.489 0.0 DG
DT
DG
8.985
7.053
6.464
NH2
NH2
NH2
O3'
OP2
OP2
ARG T:53 e:49 133.0 0.591 H -64.7 -39.7 133.0 0.591 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DG
9.589
6.816
2.713
2.566
7.435
9.398
7.081
6.335
9.218
6.743
6.019
8.767
NH1
NH2
NE
NE
O
NH1
NH1
NH2
CD
CD
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O2
O3'
C5'
OP1
6a5u 16 P84243 100.0 5e-96 EM
2018-10-03 ARG P:53 a:49 111.0 0.493 H -66.0 -40.9 111.0 0.493 0.0 DG
DT
DG
DG
DT
DT
8.985
7.052
6.464
3.356
3.397
9.164
NH2
NH2
NH2
CD
CG
CG
O3'
OP2
OP2
O3'
OP1
OP2
ARG T:53 e:49 133.0 0.591 H -64.7 -39.7 133.0 0.591 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DG
9.589
6.816
2.714
2.566
7.435
9.399
7.082
6.334
9.218
6.743
6.018
8.766
NH1
NH2
NE
NE
O
NH1
NH1
NH2
CD
CD
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O2
O3'
C5'
OP1
6inq 16 P84243 100.0 5e-96 EM
2019-04-03 ARG P:53 a:49 111.0 0.493 H -65.9 -40.8 111.0 0.493 0.0 DG
DT
DG
DG
DT
DT
8.985
7.053
6.463
3.355
3.397
9.164
NH2
NH2
NH2
CD
CG
CG
O3'
OP2
OP2
O3'
OP1
OP2
ARG T:53 e:49 131.0 0.582 H -64.8 -39.6 131.0 0.582 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DG
9.590
6.815
2.713
2.565
7.436
9.398
7.081
6.336
9.217
6.743
6.018
8.766
NH1
NH2
NE
NE
O
NH1
NH1
NH2
CD
CD
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O2
O3'
C5'
OP1
6ir9 19 P84243 100.0 5e-96 EM
2019-02-20 ARG S:53 a:49 112.0 0.498 H -66.0 -40.8 112.0 0.498 0.0 DG
DT
DG
8.985
7.053
6.464
NH2
NH2
NH2
O3'
OP2
OP2
ARG W:53 e:49 131.0 0.582 H -64.8 -39.7 131.0 0.582 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DG
9.590
6.817
2.714
2.567
7.434
9.398
7.082
6.337
9.219
6.743
6.018
8.768
NH1
NH2
NE
NE
O
NH1
NH1
NH2
CD
CD
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O2
O3'
C5'
OP1
6j4w 19 P84243 100.0 5e-96 EM
2019-02-20 ARG S:53 a:49 133.0 0.591 H -68.7 -37.4 133.0 0.591 0.0 DG
DT
DG
8.759
6.766
5.443
NH2
NH1
NH2
O3'
OP1
OP2
ARG W:53 e:49 109.0 0.484 H -63.9 -36.9 109.0 0.484 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DG
9.597
7.557
3.426
3.309
7.813
9.184
6.954
5.456
9.555
8.255
6.961
7.642
NH1
NH2
NE
NE
O
N
N
NH2
CD
CD
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O2
O3'
C5'
OP1
6j4x 19 P84243 100.0 5e-96 EM
2019-02-20 ARG S:53 a:49 111.0 0.493 H -66.0 -40.8 111.0 0.493 0.0 DG
DT
DG
8.985
7.054
6.465
NH2
NH2
NH2
O3'
OP2
OP2
ARG W:53 e:49 132.0 0.587 H -64.8 -39.6 132.0 0.587 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DG
9.590
6.817
2.715
2.567
7.434
9.399
7.081
6.337
9.219
6.743
6.018
8.769
NH1
NH2
NE
NE
O
NH1
NH1
NH2
CD
CD
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O2
O3'
C5'
OP1
6j4y 19 P84243 100.0 5e-96 EM
2019-02-20 ARG S:53 a:49 113.0 0.502 H -65.9 -40.8 113.0 0.502 0.0 DG
DT
DG
8.985
7.053
6.464
NH2
NH2
NH2
O3'
OP2
OP2
ARG W:53 e:49 130.0 0.578 H -64.8 -39.8 130.0 0.578 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DG
9.590
6.815
2.713
2.567
7.436
9.399
7.081
6.337
9.219
6.746
6.018
8.767
NH1
NH2
NE
NE
O
NH1
NH1
NH2
CD
CD
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O2
O3'
C5'
OP1
6j4z 18 P84243 100.0 5e-96 EM
2019-02-20 ARG R:53 a:49 114.0 0.507 H -65.9 -40.9 114.0 0.507 0.0 DG
DT
DG
DG
DT
DT
8.985
7.053
6.464
3.355
3.396
9.163
NH2
NH2
NH2
CD
CG
CG
O3'
OP2
OP2
O3'
OP1
OP2
ARG V:53 e:49 131.0 0.582 H -64.7 -39.7 131.0 0.582 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DG
9.591
6.816
2.714
2.565
7.435
9.399
7.082
6.333
9.218
6.743
6.018
8.766
NH1
NH2
NE
NE
O
NH1
NH1
NH2
CD
CD
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O2
O3'
C5'
OP1
6j50 18 P84243 100.0 5e-96 EM
2019-02-20 ARG R:53 a:49 109.0 0.484 H -66.0 -40.8 109.0 0.484 0.0 DG
DT
DG
DG
DT
DT
8.985
7.052
6.464
3.355
3.396
9.165
NH2
NH2
NH2
CD
CG
CG
O3'
OP2
OP2
O3'
OP1
OP2
ARG V:53 e:49 134.0 0.596 H -64.7 -39.6 134.0 0.596 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DG
9.591
6.815
2.713
2.565
7.435
9.399
7.082
6.333
9.218
6.743
6.018
8.766
NH1
NH2
NE
NE
O
NH1
NH1
NH2
CD
CD
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O2
O3'
C5'
OP1
6j51 19 P84243 100.0 5e-96 EM
2019-02-20 ARG S:53 a:49 111.0 0.493 H -65.9 -40.8 111.0 0.493 0.0 DG
DT
DG
DG
DT
DT
8.985
7.051
6.464
3.355
3.397
9.165
NH2
NH2
NH2
CD
CG
CG
O3'
OP2
OP2
O3'
OP1
OP2
ARG W:53 e:49 132.0 0.587 H -64.8 -39.7 132.0 0.587 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DG
9.591
6.816
2.713
2.565
7.436
9.398
7.080
6.333
9.218
6.742
6.018
8.766
NH1
NH2
NE
NE
O
NH1
NH1
NH2
CD
CD
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O2
O3'
C5'
OP1
3wtp 5 P84243 100.0 1e-95 X-RAY
2014-12-03 ARG E:54 E:49 106.0 0.471 H -55.0 -41.1 106.0 0.471 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
8.809
5.469
3.536
3.286
8.004
9.150
6.861
5.341
8.298
6.969
5.237
6.490
NH2
NH1
CD
CD
O
NH1
N
NH1
NH2
NH2
NH2
NH2
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
C2
O2
C4'
OP1
5kdm 1 P84243 100.0 4e-95 X-RAY
2016-09-07 ARG A:49 A:49 142.0 0.631 H -50.2 -31.3 23.0 0.102 0.529 D:Q1HVJ0:0.32
C:Q9UER7:0.271
B:P62805:0.044
7a08 6 P84243 100.0 4e-95 EM
2020-09-23 ARG F:49 d:49 85.0 0.378 H -58.8 -40.7 85.0 0.378 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
8.511
5.637
3.445
3.183
8.595
9.078
6.236
5.137
9.971
7.186
6.355
7.772
NH1
NH2
NH1
CG
O
N
NH2
NH2
NH1
NH1
NH1
NH2
N2
O3'
C4'
OP1
OP1
O3'
O3'
OP2
O2
O2
C5'
OP1
ARG J:49 NA:NA DO NA DO DO DO NA NA NA
5xm1 1 ? 98.53 1e-94 X-RAY
2018-03-07 ARG A:53 A:49 91.0 0.404 H -66.1 -39.7 91.0 0.404 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
9.238
7.568
5.886
7.127
9.214
5.719
3.389
2.905
9.272
8.956
6.349
5.108
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
NH2
NH2
NH2
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
ARG E:53 E:49 108.0 0.48 H -63.6 -42.2 108.0 0.48 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
9.389
6.162
3.483
2.970
7.613
8.943
6.806
6.202
8.731
6.613
6.018
6.329
NH2
NH2
NH1
CG
O
N
N
NH2
NH1
NH1
NH2
NH2
N3
O3'
O3'
OP1
OP2
O3'
OP1
OP1
C2
O3'
O3'
OP1
5gxq 1 ? 97.79 2e-94 X-RAY
2017-04-19 ARG A:53 A:49 95.0 0.422 H -55.1 -41.8 95.0 0.422 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
9.809
7.724
6.069
6.729
8.793
5.369
3.366
2.966
9.339
8.961
6.546
4.579
9.454
NH1
CD
NH1
NH1
NH1
NH2
CD
CG
CG
N
NH2
NH2
NH2
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP2
ARG E:53 E:49 113.0 0.502 H -60.1 -35.2 113.0 0.502 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
9.416
6.354
3.276
3.001
7.943
9.027
6.869
5.768
9.226
6.338
5.173
6.271
NH2
NH2
CD
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C5'
OP1
1eqz 4 P84229 97.06 9e-94 X-RAY
2000-04-17 ARG E:50 C:49 113.0 0.502 H -64.7 -39.2 113.0 0.502 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
DA
HOH
9.330
7.461
5.649
6.750
9.286
5.805
2.943
2.805
8.921
8.839
6.675
4.828
9.861
2.888
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CD
N
NH2
NH2
NH2
O
C2
O3'
C4'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP2
O
ARG I:50 G:49 113.0 0.502 H -60.0 -41.7 113.0 0.502 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.934
5.646
3.276
2.915
7.895
8.793
6.675
5.561
9.358
7.310
6.141
7.909
2.907
NH2
NH2
NH1
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
O
N3
O3'
O3'
OP1
OP1
O3'
OP1
OP2
C2
O3'
C5'
OP1
O
1hq3 3 P84229 97.06 9e-94 X-RAY
2001-01-24 ARG C:50 C:49 131.0 0.582 H -67.6 -37.7 131.0 0.582 0.0 PO4
HOH
7.222
7.314
NH1
O
O4
O
ARG G:50 G:49 117.0 0.52 H -64.8 -41.1 117.0 0.52 0.0 HOH
6.075
NE
O
1tzy 3 P84229 97.06 9e-94 X-RAY
2004-08-03 ARG C:50 C:49 134.0 0.596 H -67.4 -32.3 134.0 0.596 0.0 PO4
HOH
3.290
2.736
CG
O
O1
O
ARG G:50 G:49 113.0 0.502 H -69.0 -35.3 113.0 0.502 0.0 HOH
2.799
O
O
2aro 3 P84229 97.06 9e-94 X-RAY
2005-08-30 ARG C:50 C:49 126.0 0.56 H -60.7 -40.7 126.0 0.56 0.0 PO4
HOH
6.889
4.407
C
O
O3
O
ARG G:50 G:49 104.0 0.462 H -65.0 -39.5 104.0 0.462 0.0 HOH
2.779
O
O
2f8n 2 P84233 97.06 9e-94 X-RAY
2006-05-23 ARG C:50 A:449 110.0 0.489 H -70.6 -39.1 110.0 0.489 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
HOH
8.913
6.959
5.282
7.030
9.159
5.695
3.034
2.870
8.376
8.755
6.518
5.003
2.583
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
N
NH2
O
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O
ARG F:50 E:649 110.0 0.489 H -57.1 -49.8 110.0 0.489 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
DT
DT
DG
HOH
9.289
5.265
2.986
3.064
8.957
8.831
6.484
4.911
9.006
7.336
6.000
7.269
5.438
NH1
NH2
CD
CD
O
N
NH2
NH2
NH1
NH1
NH1
NH1
C
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
C2
O3'
C4'
OP1
O
2hio 3 P84229 97.06 9e-94 X-RAY
2000-01-12 ARG C:50 C:49 146.0 0.649 H -58.2 -33.9 146.0 0.649 0.0
4kgc 1 P84233 97.06 9e-94 X-RAY
2014-03-26 ARG A:50 A:49 114.0 0.507 H -70.7 -37.7 114.0 0.507 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
DA
9.690
7.587
5.816
6.481
9.232
5.341
3.268
3.165
9.390
8.851
6.830
4.901
9.968
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
N
NH2
NH2
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
OP1
ARG E:50 E:49 116.0 0.516 H -58.2 -43.3 116.0 0.516 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
DT
DT
DG
9.333
5.943
3.535
3.099
8.966
8.979
6.946
6.126
9.132
6.620
5.443
6.993
NH2
NH2
CD
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C5'
OP1
4ld9 1 P84233 97.06 9e-94 X-RAY
2013-08-14 ARG A:50 A:49 104.0 0.462 H -70.4 -39.7 104.0 0.462 0.0 DT
DC
DT
DG
DG
DA
DA
DT
DC
DC
DG
DC
8.787
7.637
5.402
7.175
9.309
5.631
3.140
3.086
8.011
9.405
7.042
5.632
NH1
NH1
NH1
NH1
NH1
NH2
NE
CD
CG
N
NH2
NH2
O2
C4'
C5'
OP1
N2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
ARG E:50 E:49 177.0 0.787 H -56.6 -51.4 177.0 0.787 0.0 DG
DA
DT
DG
DT
DA
DG
DT
DG
DC
DA
DT
DC
DG
8.859
8.019
5.367
3.460
4.506
8.107
9.631
7.405
7.718
9.100
6.847
3.942
4.202
7.694
NH2
NH2
NH1
NH1
CD
O
N
N
NH1
NH2
NH2
NH2
NH2
NH2
N2
C2
C2'
C4'
OP1
OP1
O3'
OP1
OP2
O2
C2
C2'
C5'
P
4uuz 1 P02299 97.06 9e-94 X-RAY
2015-02-11 ARG A:50 NA:NA DO NA DO DO DO NA NA NA
5kgf 1 P84233 97.06 9e-94 EM
2016-07-27 ARG A:50 A:49 103.0 0.458 H -75.9 -43.5 103.0 0.458 0.0 DA
DT
DC
DG
DT
DG
DT
DA
DG
DT
DG
9.032
8.916
7.108
7.672
5.406
2.937
4.589
7.916
8.309
6.347
4.660
NH1
CD
CD
CZ
NH1
NH1
CB
O
NH2
NH2
NH2
C2
C4'
C5'
OP1
O3'
C4'
OP1
OP1
O3'
O5'
OP2
ARG E:50 E:49 102.0 0.453 H -75.8 -43.8 102.0 0.453 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DG
DC
DT
DG
9.147
6.312
3.065
3.769
8.022
8.435
6.402
4.495
9.837
7.657
5.951
8.248
NH1
NH1
NH1
CD
O
NH2
NH2
NH2
NH2
CG
CD
CZ
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
OP2
O3'
C5'
OP1
5x0x 1 P84233 97.06 9e-94 EM
2017-04-19 ARG A:50 A:49 123.0 0.547 H -82.5 -40.7 123.0 0.547 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DC
DT
DC
9.570
6.652
3.237
2.979
8.649
8.946
6.745
5.139
8.649
6.889
7.512
NH1
NH2
CD
CD
CG
NH2
NH2
NH2
CD
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
C4'
C4'
OP1
ARG E:50 E:49 122.0 0.542 H -82.4 -40.6 122.0 0.542 0.0 DC
DC
DG
DG
DA
DT
DG
DG
DT
DG
9.337
7.073
6.612
9.746
6.406
5.036
5.980
8.882
6.919
5.405
NH1
NH1
NH1
NH1
CD
CD
CG
NH2
N
NH2
O3'
C5'
OP1
N2
O3'
OP1
OP1
O3'
OP1
OP2
6dzt 1 P02299 97.06 9e-94 EM
2019-05-22 ARG A:50 A:49 96.0 0.427 H -61.1 -43.0 96.0 0.427 0.0 DT
DC
DT
DC
DG
DA
DA
DT
DC
DC
DG
DC
DG
9.701
7.915
6.223
6.970
8.222
5.084
3.422
3.364
8.993
9.545
6.701
4.769
9.737
CD
CD
NH1
NH1
NH1
NH2
CD
CG
O
N
NH2
NH2
NH2
O2
O3'
C4'
OP1
N2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
ARG E:50 E:49 101.0 0.449 H -62.7 -39.7 101.0 0.449 0.0 DA
DT
DG
DT
DA
DG
DT
DG
DA
DT
DC
DC
9.231
5.426
3.589
3.313
8.882
9.239
6.835
4.879
9.379
7.832
5.940
7.278
NH1
NH2
CD
CG
CG
N
NH2
NH2
NH1
NH1
NH1
NH1
C2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
C2
O3'
C5'
OP1
6kw3 2 P84233 97.06 9e-94 EM
2019-11-13 ARG B:50 N:49 121.0 0.538 H -69.2 -39.4 121.0 0.538 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DC
DT
DC
8.900
7.775
4.697
4.085
8.814
9.159
6.675
5.219
6.841
6.335
8.131
NH1
NH2
CD
CD
CG
NH2
NH2
NH2
NH1
CB
NH1
N2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
O3'
OP1
OP1
ARG D:50 Q:49 157.0 0.698 H -75.4 -37.2 157.0 0.698 0.0 DG
DT
DG
DC
9.691
7.370
5.826
9.926
N
N
NH2
NH2
O3'
OP1
OP2
OP2
6kw4 1 P84233 97.06 9e-94 EM
2019-11-13 ARG A:50 N:49 127.0 0.564 H -64.4 -37.3 127.0 0.564 0.0 DG
DA
DA
DT
DC
DG
DC
DT
DC
DT
DC
9.527
8.031
4.938
3.403
7.674
8.012
6.196
9.558
6.786
5.779
7.701
NH1
NH2
CD
CD
CD
NH2
NH2
CD
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP1
OP2
OP2
O3'
O3'
C5'
OP1
ARG D:50 Q:49 146.0 0.649 H -64.7 -39.6 146.0 0.649 0.0 DG
DT
DG
9.481
7.508
5.793
NH2
NH2
NH2
O3'
OP2
OP2
6kw5 16 P84233 97.06 9e-94 EM
2020-09-09 ARG Q:50 R:49 121.0 0.538 H -66.9 -35.4 121.0 0.538 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DC
DT
DC
8.509
4.903
3.871
3.207
9.357
9.460
7.364
5.920
6.754
6.000
7.302
NH2
NH2
NH1
CG
O
NH1
NH1
NH1
NH2
NH2
NH2
N2
O3'
OP1
OP1
OP2
O3'
OP1
OP1
O2
C4'
OP1
ARG T:50 V:49 127.0 0.564 H -67.3 -37.6 127.0 0.564 0.0 DT
DC
DC
DT
DG
DT
DA
DG
DT
DG
8.490
7.150
8.409
6.524
3.468
2.900
9.775
9.778
7.825
5.701
NH1
NH1
NH1
NH1
CD
CD
CG
NH2
NH2
NH2
O3'
C5'
OP1
O3'
O3'
OP1
OP2
O3'
C3'
OP2
6o22 4 P84233 97.06 9e-94 NMR
SOLUTION SCATTERING
2019-07-31 ARG E:50 NA:NA DO NA DO DO DO NA NA NA
6pwe 1 P02299 97.06 9e-94 EM
2019-08-21 ARG A:50 A:49 120.0 0.533 G -125.2 11.0 120.0 0.533 0.0 DT
DC
DT
DC
DG
DA
DA
DT
DC
DC
DG
DC
8.048
6.970
6.536
7.069
8.194
5.955
3.364
4.355
8.622
9.396
7.081
5.863
NH1
CD
NE
NH2
NH1
NH1
NH1
CD
CG
NH2
NH2
NH2
O2
O3'
C4'
OP1
N2
O3'
C4'
OP1
OP1
O3'
OP1
OP2
ARG E:50 E:49 119.0 0.529 G -125.2 11.0 119.0 0.529 0.0 DA
DT
DG
DT
DA
DG
DT
DG
DA
DT
DC
DC
8.585
5.775
3.665
4.972
9.280
9.588
6.882
5.685
8.609
6.745
6.354
6.462
NH1
NH1
NH1
O
CG
NH2
NH2
NH2
NH1
CD
CG
NH2
C2
O2
C4'
OP1
OP1
O3'
O3'
OP2
C2
O3'
OP1
OP1
6pwf 1 P02299 97.06 9e-94 EM
2019-08-21 ARG A:50 A:49 113.0 0.502 T -81.8 9.0 113.0 0.502 0.0 DC
DT
DC
DG
DA
DA
DT
DC
DC
DG
DC
6.993
6.539
9.050
9.167
6.172
3.278
3.619
9.787
9.384
6.836
5.299
CD
CD
NE
NE
NH2
NH1
NH1
CD
N
NH2
NH2
O3'
C5'
OP1
N2
O3'
O3'
OP1
P
O3'
O3'
OP2
ARG E:50 E:49 112.0 0.498 T -81.9 9.1 112.0 0.498 0.0 DG
DA
DT
DG
DG
DT
DG
DT
DC
DC
9.217
4.849
3.141
4.581
9.355
7.126
5.776
8.077
7.400
8.048
NE
NH2
NH2
NH1
N
NH2
NH2
CD
CD
NE
N2
O3'
OP1
OP1
O3'
O3'
OP1
O3'
C4'
OP1
6wkr 9 P84233 97.06 9e-94 EM
2021-02-03 ARG I:50 I:49 139.0 0.618 H -69.3 -45.5 139.0 0.618 0.0 DC
DT
DC
DC
DA
DG
DA
DA
DT
DC
DC
DG
9.735
8.111
6.795
7.926
9.919
5.867
2.413
2.753
8.584
9.360
7.802
6.834
NE
NE
NE
NH1
NH1
NH1
NH2
NH2
CD
N
N
NH1
O2
O3'
C5'
OP1
N3
O3'
O3'
OP1
P
O3'
OP2
OP2
ARG M:50 O:49 142.0 0.631 H -88.0 -40.6 142.0 0.631 0.0 DG
DT
DA
DT
DT
DG
DC
DC
DA
DT
DC
5.878
2.439
3.127
9.038
9.861
7.598
7.369
9.706
8.517
7.290
7.413
NH2
NH1
NH1
NH1
N
N
NH2
NH1
NH2
NH2
NH2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
O2
O4'
O4'
OP1
7jo9 1 Q71DI3 97.06 9e-94 EM
2020-09-16 ARG A:50 A:49 111.0 0.493 H -61.5 -41.5 111.0 0.493 0.0 DT
DC
DT
DC
DG
DA
DA
DT
DC
DC
DG
DC
9.649
7.567
5.891
7.695
8.266
5.789
3.698
3.548
9.313
9.944
7.707
6.262
NH2
NH2
NH2
NH2
NH2
NH1
NH1
CD
O
N
N
NH1
O2
O3'
C4'
OP1
N2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
ARG E:50 E:49 116.0 0.516 H -61.2 -44.4 116.0 0.516 0.0 DA
DT
DG
DT
DA
DG
DT
DG
DA
DT
DC
DC
9.510
5.716
3.816
3.509
9.415
9.586
7.473
5.988
9.093
7.611
6.300
7.927
NH1
NH2
NH2
CD
CG
N
N
NH2
NH1
NH1
NH1
NH1
C2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
C2
O3'
C5'
OP1
7joa 1 Q71DI3 97.06 9e-94 EM
2020-09-16 ARG A:50 A:49 114.0 0.507 H -62.7 -41.7 114.0 0.507 0.0 DT
DC
DT
DC
DG
DA
DA
DT
DC
DG
DC
9.216
7.572
6.003
7.625
8.118
5.523
3.420
3.711
9.246
7.847
6.464
NH2
NH2
NH2
NH2
NH2
NH1
NH1
CD
O
N
NH1
O2
O3'
C4'
OP1
N2
O3'
C5'
OP1
OP1
OP1
OP2
ARG E:50 E:49 118.0 0.524 H -62.1 -44.1 118.0 0.524 0.0 DA
DT
DG
DT
DA
DG
DT
DG
DA
DT
DC
DC
9.534
5.532
3.660
3.427
9.090
9.895
7.762
6.054
8.912
7.775
6.389
7.968
NH1
NH2
NH2
CD
CD
N
N
NH2
NH1
NH1
NH1
NH1
C2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
C2
O3'
C4'
OP1
7kbd 1 P84233 97.06 9e-94 EM
2021-09-15 ARG A:50 A:49 128.0 0.569 H -65.9 -39.1 128.0 0.569 0.0 DT
DG
DT
DG
DA
DA
DT
DC
DC
DG
DC
9.857
7.224
6.107
7.206
5.079
3.471
3.479
9.092
9.658
7.432
6.030
CD
CD
CG
NH1
NH1
NH2
CG
O
N
N
NH2
O2
O3'
OP1
OP1
O3'
OP1
OP1
OP2
O3'
OP1
OP2
ARG E:50 E:49 129.0 0.573 H -65.9 -39.1 129.0 0.573 0.0 DA
DA
DT
DC
DG
DT
DG
DT
DG
DT
DG
5.258
3.574
3.974
9.131
9.482
7.211
6.047
9.814
7.699
6.548
7.750
NH1
NH1
NE
O
N
N
NH1
CD
CD
CD
NH1
O3'
C5'
OP1
OP2
O3'
OP1
OP1
O2
O3'
C5'
OP1
7kbe 1 P84233 97.06 9e-94 EM
2021-09-15 ARG A:50 A:49 110.0 0.489 H -63.2 -42.7 110.0 0.489 0.0 DG
DT
DG
DC
DA
DA
DT
DC
DC
DG
DC
8.096
6.747
6.912
9.712
6.083
3.312
3.851
8.555
9.134
6.707
5.313
NH1
NH1
NH1
NH1
NH2
CD
CG
O
NH2
NH2
NH2
N2
C4'
OP1
O2
O3'
O3'
OP1
OP1
O3'
O3'
OP1
ARG E:50 E:49 120.0 0.533 H -62.3 -43.5 120.0 0.533 0.0 DA
DA
DT
DC
DG
DT
DG
DT
DG
DT
DG
5.417
3.615
3.952
8.616
9.450
6.774
5.170
9.412
7.654
6.982
8.860
NH2
NH2
NH1
O
NH2
NH2
NH2
CD
CG
CG
NE
O3'
C5'
OP1
OP1
O3'
O3'
OP2
O2
O3'
C5'
OP1
7kbf 1 P84233 97.06 9e-94 EM
2021-09-15 ARG A:50 A:49 121.0 0.538 H -54.9 -62.9 121.0 0.538 0.0 DT
DG
DT
DG
DA
DA
DT
DC
DG
DT
DG
9.528
7.934
6.875
6.716
6.519
2.452
2.970
8.224
9.090
6.890
6.349
NH1
CG
CD
CD
NH2
NH1
NH2
O
CD
CD
NE
O2
O3'
C4'
OP1
O3'
O3'
OP1
OP1
O3'
OP1
OP2
ARG E:50 E:49 127.0 0.564 H -55.4 -52.6 127.0 0.564 0.0 DC
DA
DA
DT
DC
DG
DT
DG
DG
DT
DG
9.973
5.863
3.012
2.968
8.645
9.311
7.433
6.406
8.480
7.122
7.720
NH1
NH1
CZ
NE
O
N
N
NH1
CG
CD
CD
O3'
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O3'
C5'
OP1
3av1 1 Q71DI3 97.06 1e-93 X-RAY
2011-06-01 ARG A:53 A:49 103.0 0.458 H -60.5 -43.2 103.0 0.458 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
9.936
7.643
6.382
6.729
8.952
5.344
3.204
2.732
9.726
8.844
6.713
4.981
9.770
NH1
CD
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH2
O2
O3'
O3'
OP1
O2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
OP2
ARG E:53 E:49 113.0 0.502 H -64.2 -39.3 113.0 0.502 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.378
5.752
3.389
3.228
8.049
8.882
6.794
5.645
9.230
6.809
6.361
7.065
2.885
NH2
NH2
CD
CD
CG
N
N
NH2
NH1
NH1
NH1
NH2
O
N3
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C4'
OP1
O
5b0z 1 Q71DI3 97.06 1e-93 X-RAY
2016-01-27 ARG A:53 A:49 95.0 0.422 H -57.8 -41.2 95.0 0.422 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
HOH
9.224
7.191
5.797
6.722
9.062
5.354
3.427
3.467
7.560
9.039
6.796
4.743
9.872
2.484
CD
CD
NH1
NH1
NH1
NH2
NE
CG
O
N
NH2
NH2
NH2
NH2
O2
O3'
C5'
OP1
O2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
OP2
O
ARG E:53 E:49 113.0 0.502 H -58.0 -38.1 113.0 0.502 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.080
5.218
3.238
3.884
7.805
9.123
6.956
5.019
9.191
7.023
5.812
6.606
2.435
NH1
NH2
NE
NE
O
N
NH2
NH2
NH1
CD
NH1
NH1
O
C2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
C2
O3'
C4'
OP1
O
6g0l 1 Q92133 96.32 5e-93 EM
2018-08-22 ARG A:50 A:49 158.0 0.702 H -59.3 -44.3 158.0 0.702 0.0 DG
DT
DG
9.763
7.542
9.886
N
N
CB
O3'
OP1
OP2
ARG E:50 E:49 101.0 0.449 H -64.5 -56.7 101.0 0.449 0.0 DC
DG
DC
DG
8.768
6.417
4.687
8.717
N
N
NH1
NH1
O3'
OP1
OP2
OP2
6vz4 1 Q92133 96.32 5e-93 EM
2020-12-02 ARG A:50 A:50 117.0 0.52 H -62.3 -42.1 117.0 0.52 0.0 DA
DG
DA
DA
DT
DC
DG
DC
DT
DC
DT
DC
9.798
6.358
5.557
3.619
4.892
9.633
8.024
6.679
8.455
5.446
4.100
6.941
NH2
NH2
NH1
NH1
CD
O
N
NH1
NH2
NH2
NH2
NH2
C2
N2
O3'
C5'
OP1
OP1
OP1
OP2
O2
O3'
C4'
P
ARG E:50 E:50 121.0 0.538 H -61.7 -42.2 121.0 0.538 0.0 DA
DT
DC
DC
DG
DA
DT
DG
DT
DA
DG
DT
DG
7.771
5.799
4.110
6.519
8.599
7.351
5.528
3.989
5.155
9.881
9.959
7.848
6.724
NH2
NH2
NH2
NH2
NH2
NH2
NH1
NH1
CD
O
N
N
NH1
C2
O2
C4'
OP1
N2
C2
O3'
C5'
OP1
OP2
O3'
OP1
OP1
5b0y 1 Q71DI3 96.32 5e-93 X-RAY
2016-01-27 ARG A:50 A:49 102.0 0.453 H -59.7 -37.7 102.0 0.453 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
9.409
7.676
5.866
6.547
9.169
5.145
3.428
3.072
9.340
8.958
6.796
4.832
9.892
CD
CD
NH1
NH1
NH1
NH2
CD
CG
CG
N
N
NH2
NH2
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
P
O3'
OP1
OP2
OP2
ARG E:50 E:49 109.0 0.484 H -61.4 -39.1 109.0 0.484 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.570
5.536
2.992
2.954
8.641
8.760
6.711
5.091
9.337
7.055
5.529
6.876
6.930
NH1
NH2
CD
CD
O
N
N
NH2
NH1
NH1
NH1
NH1
O
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
C2
O3'
C5'
OP1
O
7cow 3 P68431 96.32 5e-93 X-RAY
2021-08-11 ARG C:52 A:49 116.0 0.516 H -65.2 -52.8 116.0 0.516 0.0 DG
DC
DA
DT
DC
DC
DG
DC
DG
DC
DG
DA
8.754
5.897
3.544
3.555
8.914
9.011
6.756
5.298
8.711
8.182
6.942
7.011
NH1
NH1
NH2
NE
CG
N
N
NH2
CD
CD
NH1
NH1
N2
O3'
C5'
OP1
P
O3'
OP1
OP2
N2
C4'
O3'
OP1
ARG G:52 E:49 118.0 0.524 H -53.7 -58.0 118.0 0.524 0.0 DA
DT
DG
DA
DT
DG
DT
DG
DG
DT
DG
DC
9.993
8.781
6.906
5.945
5.649
3.185
3.411
7.680
9.240
6.771
4.703
9.541
CD
NH1
NH1
NH1
NH2
CD
CD
O
N
NH2
NH2
NH2
C2
O3'
C5'
OP1
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
ARG K:52 K:49 121.0 0.538 H -65.5 -61.7 121.0 0.538 0.0 DT
DG
DA
DA
DA
DT
DG
DT
DG
DT
DG
9.559
8.287
6.256
7.363
6.161
3.403
3.352
8.530
9.114
6.760
5.110
CD
CD
NH1
NH1
NH2
NE
NE
CD
N
N
NH2
O2
O4'
C4'
OP1
O3'
O3'
OP1
P
O3'
OP1
OP2
ARG O:52 O:49 129.0 0.573 H -56.2 -42.8 129.0 0.573 0.0 DG
DC
DA
DT
DC
DC
DG
DC
DG
DG
DC
DG
DT
9.282
5.515
3.402
3.579
8.955
9.142
6.794
4.983
9.580
9.320
8.400
6.860
7.098
NH1
NH2
CD
NE
CG
N
N
NH2
NH2
CD
CD
NH1
NH1
N2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
OP2
N2
O3'
C4'
OP1
3lel 1 P84233 96.32 5e-93 X-RAY
2010-05-19 ARG A:50 A:49 112.0 0.498 H -65.1 -43.8 112.0 0.498 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DG
DA
DA
DC
9.178
7.237
5.863
7.083
9.743
6.150
3.546
3.167
9.623
8.567
6.365
4.843
9.870
NH1
NH1
NH1
NH2
NH1
NH2
CD
CD
O
NH2
NH2
NH2
NH2
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
OP2
ARG E:50 E:49 109.0 0.484 H -60.5 -35.1 109.0 0.484 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DC
DA
DT
DT
DG
9.315
5.712
3.548
2.816
8.497
9.136
6.991
5.310
9.858
9.970
7.987
6.083
6.555
NH2
NH1
CD
CG
CG
N
NH2
NH1
NH1
NH2
NH2
NH2
NH2
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP2
C2
O3'
C4'
OP1
ARG K:50 K:49 110.0 0.489 H -61.9 -41.5 NA NA NA
ARG O:50 O:49 107.0 0.476 H -54.3 -40.9 NA NA NA
4zux 1 P84233 96.32 5e-93 X-RAY
2016-02-24 ARG A:50 A:49 106.0 0.471 H -60.0 -52.4 106.0 0.471 0.0 DT
DC
DG
DT
DG
DT
DA
DG
DT
DG
9.638
7.365
7.723
5.238
3.258
3.193
8.850
8.702
6.426
5.643
NH1
NH1
NH1
NH2
CD
CD
O
N
N
NH2
C4'
C5'
OP1
O3'
O3'
OP1
OP1
O3'
OP1
OP2
ARG E:50 E:49 123.0 0.547 H -60.6 -41.5 123.0 0.547 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DG
DT
DC
DT
DG
8.557
6.323
3.101
3.057
8.521
8.388
6.216
5.199
9.698
9.836
8.018
5.662
7.325
NH1
NH2
NE
NE
CD
N
N
NH2
NH2
NH1
NH1
NH1
NH1
N2
O3'
O3'
OP1
P
O3'
OP1
OP2
OP2
O2
O3'
C4'
OP1
ARG K:50 K:49 101.0 0.449 H -60.0 -52.4 NA NA NA
ARG O:50 O:49 136.0 0.604 H -60.0 -52.1 NA NA NA
5e5a 2 P84233 96.32 5e-93 X-RAY
2016-02-03 ARG C:50 A:49 108.0 0.48 H -64.9 -37.1 108.0 0.48 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
HOH
9.785
7.770
5.884
6.829
9.361
5.284
3.511
3.309
9.330
8.976
6.863
5.581
3.421
NH1
NH1
NH1
NH1
NH1
NH2
NH2
CG
CG
N
N
NH2
N
C2
O2
C4'
OP1
N3
O3'
C5'
OP1
OP2
O3'
OP1
OP2
O
ARG G:50 E:49 118.0 0.524 H -64.3 -37.0 118.0 0.524 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DC
DA
DT
DT
DG
HOH
9.482
5.487
3.342
3.014
9.238
9.152
6.978
5.068
9.906
9.636
7.389
5.935
6.914
2.903
NH1
NH2
CD
CD
O
N
N
NH2
NH2
NH1
CD
NH1
NH1
O
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
OP2
C2
O3'
C4'
OP1
O
5o9g 1 P84233 96.32 5e-93 EM
2017-10-11 ARG A:50 A:49 151.0 0.671 H -65.4 -38.7 151.0 0.671 0.0 DT
DG
8.579
9.463
N
NH1
OP1
OP2
ARG E:50 E:49 124.0 0.551 H -69.1 -27.3 124.0 0.551 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DG
8.104
5.003
3.660
4.114
8.722
8.564
5.784
4.308
9.197
8.582
7.395
8.549
NH1
NH1
NH1
CB
O
NH2
NH2
NH2
NH1
NH1
NH1
NH1
N2
O3'
C4'
OP1
OP1
O3'
C3'
OP2
O2
O2
C4'
OP1
6i84 1 P84233 96.32 5e-93 EM
2019-01-02 ARG A:50 M:49 118.0 0.524 H -60.9 -48.5 118.0 0.524 0.0 DT
DG
DT
DA
DT
DG
5.753
3.390
3.786
8.994
8.153
6.136
NH1
CD
CG
O
N
NH1
O3'
O3'
OP1
OP1
OP1
OP2
ARG H:50 S:49 145.0 0.644 H -62.2 -38.4 145.0 0.644 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DC
DT
DG
6.646
8.316
5.924
5.513
8.217
8.925
6.898
6.657
5.035
4.013
8.379
NH1
NH1
NH1
CD
O
NH2
NH2
NH2
NH1
NH1
NH1
N2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
O3'
C5'
OP1
6j99 1 A0A310TTQ1 96.32 5e-93 EM
2019-02-27 ARG A:50 A:49 114.0 0.507 H -69.4 131.4 114.0 0.507 0.0 DA
DT
DC
DC
DT
DG
DT
DA
DG
DT
DG
8.728
7.158
6.427
9.049
6.193
2.668
3.246
9.562
9.391
7.402
5.532
NE
CD
CD
CD
NH2
NH2
NH2
CB
O
NH1
NH1
C2
O3'
C5'
OP1
O3'
O3'
OP1
OP1
C3'
C3'
OP2
ARG E:50 E:49 115.0 0.511 H -69.5 131.4 115.0 0.511 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
8.676
5.177
2.688
3.038
9.007
9.280
7.049
5.022
9.311
7.249
5.994
6.620
NE
NH2
NH2
NH2
CB
O
O
NH1
NE
CD
CD
CD
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O2
O3'
OP1
OP1
6ne3 1 P84233 96.32 5e-93 EM
2019-07-17 ARG A:50 A:49 112.0 0.498 H -69.0 -29.8 112.0 0.498 0.0 DC
DC
DT
DG
DG
DG
DA
DT
DG
DA
DC
DG
9.319
6.753
5.985
7.308
7.378
5.055
3.443
5.026
8.788
9.412
7.272
6.019
NH1
CD
CG
NH1
NH1
NH1
NH2
CB
O
N
N
NH2
O2
O3'
OP1
OP1
N2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
ARG E:50 E:49 114.0 0.507 H -57.7 -45.7 114.0 0.507 0.0 DA
DT
DC
DC
DC
DC
DG
DT
DG
DA
DT
DT
DC
8.514
5.762
3.473
3.287
8.536
9.347
7.139
5.876
9.943
8.417
6.604
5.257
7.044
NH2
NH1
NE
CD
O
N
N
NH1
NH2
NH2
NH2
NH2
NH2
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
N2
C2
O3'
C4'
OP1
6pwv 4 P84233 96.32 5e-93 EM
2019-12-18 ARG D:50 G:49 113.0 0.502 H -62.2 -34.0 113.0 0.502 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
8.879
5.904
2.854
3.301
7.902
8.767
6.865
5.642
9.718
7.521
6.086
7.269
NH1
NH2
NE
CD
CG
N
N
NH2
CD
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O2
O3'
C5'
OP1
ARG H:50 K:49 115.0 0.511 H -62.2 -34.0 115.0 0.511 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
9.000
7.855
6.261
7.171
9.464
5.503
2.811
3.326
8.133
8.804
7.074
5.496
CD
NH1
NH1
NH1
NH1
NH2
NE
CD
CG
N
N
NH2
C2
O3'
C4'
OP1
C2
O3'
O3'
OP1
OP1
O3'
OP2
OP2
6pww 4 P84233 96.32 5e-93 EM
2019-12-18 ARG D:50 G:49 115.0 0.511 H -62.4 -34.8 115.0 0.511 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
8.528
5.909
3.040
3.424
7.813
8.876
6.905
5.574
9.518
7.199
5.876
7.335
NH1
NH2
NE
CD
CG
N
NH2
NH2
CD
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O2
O3'
C5'
OP1
ARG H:50 K:49 114.0 0.507 H -62.4 -34.7 114.0 0.507 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
9.172
7.591
6.109
7.319
9.561
5.621
2.983
3.265
8.284
9.038
7.066
5.454
NH1
NH1
NH1
NH1
NH1
NH2
NE
CD
CG
N
NH2
NH2
C2
O3'
C4'
OP1
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
6pwx 2 P84233 96.32 5e-93 EM
2019-12-18 ARG B:50 G:49 118.0 0.524 H -62.7 -43.7 118.0 0.524 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DG
DT
DC
DT
DC
7.603
5.689
3.089
3.389
8.362
9.500
7.380
5.348
9.881
9.200
7.157
6.203
7.639
NH1
NH2
CD
CG
CG
N
NH2
NH2
NH2
NH1
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
O2
O2
C5'
OP1
ARG F:50 K:49 118.0 0.524 H -62.7 -43.7 118.0 0.524 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
8.659
7.446
5.947
7.444
8.590
5.555
3.219
3.443
8.375
9.075
7.129
5.101
NH1
NH1
NH1
NH1
NH1
NH2
CD
CG
CG
N
NH2
NH2
C2
O2
C4'
OP1
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
6ryr 1 P84233 96.32 5e-93 EM
2020-07-15 ARG A:50 A:49 93.0 0.413 H -62.7 -37.0 93.0 0.413 0.0 DT
DC
DA
DT
DG
DT
DA
DG
DT
DG
7.285
7.038
9.622
5.673
4.029
4.564
9.094
9.342
6.967
5.529
CD
CG
NE
NH2
NH2
NH1
O
NH2
NH2
NH2
O3'
OP1
C2
O3'
C5'
OP1
OP2
O3'
O3'
OP2
ARG E:50 E:49 119.0 0.529 H -61.8 -42.4 119.0 0.529 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DC
DT
DG
9.392
5.856
3.814
2.933
8.631
9.777
7.247
5.522
6.933
5.470
6.838
NH1
NH2
CZ
NE
O
N
NH2
NH2
CD
CG
NH1
N2
O3'
C5'
OP1
OP1
O3'
C3'
OP2
O3'
OP1
OP1
6ryu 1 P84233 96.32 5e-93 EM
2020-07-15 ARG A:50 A:49 103.0 0.458 H -74.9 -22.7 103.0 0.458 0.0 DA
DT
DC
DG
DA
DT
DG
DT
DA
DG
DT
DG
9.876
7.139
5.760
7.679
9.118
5.458
3.375
2.444
8.747
9.427
7.187
6.004
CD
CD
CD
CD
NH1
NH2
NH2
NE
O
NH1
NH1
NH1
C2
O3'
OP1
OP1
C2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
ARG E:50 E:49 128.0 0.569 H -94.6 -21.7 128.0 0.569 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DC
DT
DG
9.317
6.484
3.503
2.929
8.277
9.714
7.617
5.556
8.683
6.731
8.279
NH1
NH2
CD
NE
CG
N
NH1
NH2
CD
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O3'
C5'
OP1
6w5i 5 P84233 96.32 5e-93 EM
2021-03-31 ARG E:50 G:49 115.0 0.511 H -62.2 -34.0 115.0 0.511 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
8.691
6.279
3.795
4.414
8.495
8.390
6.227
5.520
9.656
7.389
5.808
6.884
NH1
NH2
NE
CD
CG
N
NH2
NH2
CD
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O2
O3'
C5'
OP1
ARG I:50 K:49 113.0 0.502 H -62.2 -34.0 113.0 0.502 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
9.226
8.115
6.518
7.320
9.829
6.110
3.431
3.767
8.386
8.709
6.665
5.452
CD
NH1
NH1
NH1
NH1
NH2
NE
CD
CG
N
NH2
NH2
C2
O3'
C4'
OP1
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
6w5m 5 P84233 96.32 5e-93 EM
2021-03-31 ARG E:50 G:49 117.0 0.52 H -62.1 -33.9 117.0 0.52 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
8.889
6.333
3.505
3.994
8.155
8.723
6.460
5.727
9.733
7.266
5.916
7.159
NH1
NH2
NE
CD
CG
N
NH2
NH2
CD
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O2
O3'
C5'
OP1
ARG I:50 K:49 117.0 0.52 H -62.1 -34.0 117.0 0.52 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
9.025
8.030
6.312
7.070
9.686
5.782
3.147
3.491
8.418
8.648
6.834
5.195
CD
NH1
NH1
NH1
NH1
NH2
NE
CD
CG
N
NH2
NH2
C2
O3'
C4'
OP1
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
6w5n 5 P84233 96.32 5e-93 EM
2021-03-31 ARG E:50 G:49 114.0 0.507 H -62.2 -34.0 114.0 0.507 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
9.168
6.578
3.636
3.964
8.238
8.593
6.307
5.709
9.726
7.259
5.969
7.270
NH1
NH2
NE
CD
CG
NH2
NH2
NH2
CD
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O2
O3'
C5'
OP1
ARG I:50 K:49 116.0 0.516 H -62.2 -34.0 116.0 0.516 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
9.158
7.753
6.139
7.030
9.817
6.229
3.734
4.138
8.621
8.498
6.379
5.347
CD
NH1
NH1
NH1
NH1
NH2
NE
CD
CG
N
NH2
NH2
C2
O3'
C4'
OP1
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
7nkx 11 P84233 96.32 5e-93 EM
2021-08-25 ARG K:50 NA:NA DO NA DO DO DO NA NA NA
ARG O:50 e:49 103.0 0.458 H -64.3 -45.2 103.0 0.458 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DC
DT
7.947
5.844
3.195
3.139
8.611
9.384
6.765
4.450
8.606
7.478
NH2
NH2
CD
CD
CG
N
NH2
NH1
NE
CG
N2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
O3'
OP1
7nky 20 P84233 96.32 5e-93 EM
2021-07-07 ARG T:50 a:49 119.0 0.529 H -62.9 -42.8 28.0 0.124 0.405 S:P32558:0.404
DG
DT
DG
9.027
7.046
8.057
N
N
NH1
O3'
OP1
OP2
ARG X:50 e:49 104.0 0.462 H -58.4 -44.6 104.0 0.462 0.0 DT
DC
DT
DG
DG
DA
DA
DT
DC
DC
DG
DC
8.441
7.000
5.129
7.732
7.859
6.466
3.541
3.649
8.200
8.985
6.778
5.737
NH1
NH1
NH1
NH2
NH1
NH2
NH1
CD
CD
N
N
NH2
O2
O3'
C5'
OP1
N2
O3'
C4'
OP1
P
O3'
OP1
OP2
3afa 1 P68431 96.32 7e-93 X-RAY
2010-05-26 ARG A:53 A:49 95.0 0.422 H -66.1 -38.6 95.0 0.422 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
HOH
9.820
7.312
6.181
6.734
8.812
5.373
3.265
2.835
9.612
8.765
6.686
5.172
9.892
7.091
CD
CD
NH1
NH1
NH1
NH2
CD
CG
CG
N
N
NH2
NH2
O
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
OP2
O
ARG E:53 E:49 111.0 0.493 H -63.4 -40.9 111.0 0.493 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.244
5.983
3.032
3.066
8.026
8.846
6.762
5.726
9.041
6.380
6.056
6.796
2.955
NH2
NH2
CD
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
O
N3
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C4'
OP1
O
3azi 1 P68431 96.32 7e-93 X-RAY
2011-09-21 ARG A:53 A:49 88.0 0.391 H -71.4 -36.0 88.0 0.391 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
8.673
7.546
6.821
7.020
9.359
5.946
2.991
2.648
8.663
8.846
6.574
4.741
NH1
NH1
NH2
NH2
NH1
NH1
NH1
CD
O
NH2
NH2
NH2
O2
O3'
O3'
OP1
O2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
ARG E:53 E:49 109.0 0.484 H -63.0 -38.1 109.0 0.484 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DC
DA
DT
DT
DG
HOH
8.721
5.248
3.244
3.192
8.248
8.728
6.751
5.231
9.605
9.200
7.618
5.990
7.298
7.608
NH2
NH1
NH2
CG
O
N
N
NH1
NH1
NH2
NH2
NH2
NH2
O
C2
O3'
C5'
OP1
OP2
O3'
OP1
OP2
OP2
C2
O2
C4'
OP1
O
3azj 1 P68431 96.32 7e-93 X-RAY
2011-09-21 ARG A:53 A:49 108.0 0.48 H -60.9 -47.3 108.0 0.48 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
9.434
7.233
5.505
6.950
8.889
5.579
3.501
2.891
9.164
8.915
6.756
5.253
9.973
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH2
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP1
ARG E:53 E:49 111.0 0.493 H -67.0 -45.5 111.0 0.493 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
8.434
7.315
3.174
3.228
8.139
8.998
6.902
7.209
8.410
5.422
4.659
6.109
NH2
NH2
CD
CG
O
N
N
NE
NH1
NH1
NH2
NH2
C2
O2
O3'
OP1
OP1
O3'
OP1
OP2
C2
O3'
C4'
OP1
3azk 1 P68431 96.32 7e-93 X-RAY
2011-09-21 ARG A:53 A:49 103.0 0.458 H -59.9 -49.1 103.0 0.458 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
9.818
7.616
6.394
6.971
8.980
5.467
3.576
2.548
9.524
8.791
6.327
4.618
9.678
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH2
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP2
O3'
C3'
OP2
OP2
ARG E:53 E:49 123.0 0.547 H -60.7 -43.4 123.0 0.547 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
9.776
5.856
3.277
3.532
8.852
8.939
6.766
5.661
9.669
7.358
6.936
7.459
NH1
NH2
NE
NE
O
N
N
NH2
CD
CD
NH1
NH1
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C4'
OP1
3azl 1 P68431 96.32 7e-93 X-RAY
2011-09-21 ARG A:53 A:49 109.0 0.484 H -62.4 -37.7 109.0 0.484 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
HOH
9.551
7.592
6.188
6.553
8.732
5.027
3.156
2.755
9.490
9.015
6.675
4.967
9.911
2.650
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH2
O
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP2
O3'
C3'
OP2
OP2
O
ARG E:53 E:49 116.0 0.516 H -66.2 -38.0 116.0 0.516 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.357
5.605
3.220
2.894
8.697
8.916
6.686
5.087
9.146
7.044
5.766
7.486
7.127
NH1
NH2
CD
CD
O
N
NH2
NH2
NH1
NH1
NH1
NH2
O
C2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
C2
O3'
C5'
OP1
O
3azm 1 P68431 96.32 7e-93 X-RAY
2011-09-21 ARG A:53 A:49 97.0 0.431 H -63.2 -22.3 97.0 0.431 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
9.425
8.158
6.931
8.324
9.310
5.112
2.718
2.817
8.489
9.096
6.717
4.983
9.388
CD
CD
NH1
NH1
NH1
NH1
CD
CG
CG
NH2
NH2
NH2
NH2
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
OP2
ARG E:53 E:49 105.0 0.467 H -65.3 -52.7 105.0 0.467 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
9.044
5.686
3.094
3.498
8.626
8.740
6.339
6.332
8.427
7.147
6.140
7.023
NH2
NH2
NH1
CG
O
N
N
NH2
NH1
NH1
NH2
NH2
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP1
C2
O3'
C4'
OP1
3azn 1 P68431 96.32 7e-93 X-RAY
2011-09-21 ARG A:53 A:49 98.0 0.436 H -58.7 -46.7 98.0 0.436 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
9.467
7.434
5.998
6.528
8.746
5.387
3.594
2.549
9.339
8.942
6.533
5.043
9.786
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH2
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP2
O3'
C3'
OP2
OP2
ARG E:53 E:49 110.0 0.489 H -63.7 -46.4 110.0 0.489 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
9.215
5.985
3.189
2.807
8.887
8.918
6.760
5.684
8.716
6.660
6.208
6.679
NH1
NH2
NH1
CD
O
N
N
NH2
NH1
NH1
NH1
NH2
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
C2
O3'
C4'
OP1
3w96 1 P68431 96.32 7e-93 X-RAY
2013-08-28 ARG A:53 A:49 115.0 0.511 H -74.6 -24.4 115.0 0.511 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
9.274
7.349
6.318
7.673
9.310
5.482
3.322
2.732
9.232
9.104
6.711
5.037
9.841
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
NH2
NH2
NH2
NH2
O2
O3'
C4'
OP1
O2
O3'
O3'
OP2
OP1
O3'
C3'
OP2
OP2
ARG E:53 E:49 100.0 0.444 H -61.6 -48.9 100.0 0.444 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
9.676
5.916
2.888
3.269
8.081
8.851
6.548
5.483
9.451
6.862
5.883
7.040
NH1
NH2
CD
CD
O
N
N
NH2
NH1
NH1
NH1
NH2
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C4'
OP1
3w97 1 P68431 96.32 7e-93 X-RAY
2013-08-28 ARG A:53 A:49 85.0 0.378 H -73.8 -19.2 85.0 0.378 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
9.105
7.390
6.157
6.977
8.983
6.236
3.542
2.888
8.894
8.598
6.294
5.162
9.977
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
NH2
NH2
NH2
NH2
O2
N3
C4'
OP1
O2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
OP2
ARG E:53 E:49 102.0 0.453 H -58.9 -31.6 102.0 0.453 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
8.950
5.702
2.959
3.190
8.416
8.643
6.226
4.229
9.072
7.459
6.339
7.214
NH1
NH1
CD
CG
CG
NH2
NH2
NH2
NH1
NH1
NH1
NH1
C2
O3'
O3'
OP1
OP2
O3'
C3'
OP2
C2
O2
C4'
OP1
3w99 1 P68431 96.32 7e-93 X-RAY
2013-08-28 ARG A:53 A:49 93.0 0.413 H -65.4 -31.9 93.0 0.413 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
9.163
8.076
7.034
8.091
8.625
5.425
3.242
3.027
8.453
8.673
6.336
4.625
9.438
NH1
CD
NH1
NH1
NH1
NH1
CD
CD
CG
NH2
NH2
NH2
NH2
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
OP2
ARG E:53 E:49 105.0 0.467 H -52.2 -51.1 105.0 0.467 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DC
DA
DT
DT
DG
8.705
5.596
3.369
3.807
8.068
8.724
6.533
4.920
9.985
8.890
7.368
5.944
7.191
NH1
NH2
NH1
CG
O
N
NH2
NH2
NH2
NH1
NH1
NH1
NH1
C2
O3'
C4'
OP1
OP1
O3'
O3'
OP2
OP2
C2
O2
C4'
OP1
3wa9 1 P68431 96.32 7e-93 X-RAY
2013-12-18 ARG A:53 A:49 99.0 0.44 H -62.9 -41.6 99.0 0.44 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
9.594
7.334
6.135
6.968
8.965
5.501
3.513
2.919
9.270
8.978
6.761
5.000
9.518
CD
CD
NH1
NH1
NH1
NH2
CD
CG
CG
N
N
NH2
NH2
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
OP2
ARG E:53 E:49 112.0 0.498 H -60.4 -39.0 112.0 0.498 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
9.296
5.424
3.323
3.079
8.117
8.952
6.854
4.963
9.494
7.301
5.900
6.537
NH1
NH2
NE
CD
O
N
N
NH2
NH1
NH1
NH1
NH1
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O2
C4'
OP1
3waa 1 P68431 96.32 7e-93 X-RAY
2013-12-18 ARG A:53 A:49 114.0 0.507 H -66.1 -38.1 114.0 0.507 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
9.379
7.409
5.792
6.781
9.000
5.546
3.314
2.956
9.317
9.034
6.902
5.089
9.629
CD
CD
NH1
NH1
NH1
NH2
CD
CD
CD
N
N
NH2
NH2
O2
O3'
C5'
OP1
O2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
OP1
ARG E:53 E:49 111.0 0.493 H -67.1 -38.7 111.0 0.493 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
9.344
5.790
3.299
3.003
8.112
9.240
7.024
5.207
9.566
7.263
6.215
7.032
NH1
NH2
CD
CD
O
N
N
NH2
NH1
CD
NH1
NH1
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C4'
OP1
3wkj 1 P68431 96.32 7e-93 X-RAY
2014-04-09 ARG A:53 A:49 99.0 0.44 H -60.0 -41.2 99.0 0.44 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
HOH
9.630
7.348
5.821
6.576
8.674
5.214
3.293
2.865
9.871
8.889
6.489
5.045
9.763
7.045
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH2
O
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
O
ARG E:53 E:49 113.0 0.502 H -67.3 -43.8 113.0 0.502 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.479
5.665
3.014
2.722
8.281
8.913
6.738
5.027
9.311
7.006
6.151
7.225
7.007
NH1
NH2
CD
CD
CD
N
NH2
NH2
NH1
NH1
NH1
NH1
O
C2
O3'
O3'
OP1
OP2
O3'
C3'
OP2
C2
O3'
C4'
OP1
O
4ym5 1 P68431 96.32 7e-93 X-RAY
2015-12-02 ARG A:53 A:49 117.0 0.52 H -64.2 -37.2 117.0 0.52 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
DA
8.647
6.873
5.044
6.869
9.224
6.583
3.306
3.097
7.441
9.527
7.259
5.751
9.811
CD
NH1
NH1
NH1
NH1
NH2
NE
NE
CG
N
N
NH2
NH2
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
OP2
ARG E:53 E:49 115.0 0.511 H -59.2 -36.7 115.0 0.511 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
DA
DT
DT
DG
9.964
5.948
3.283
3.227
7.718
9.036
6.789
5.500
9.412
9.278
7.379
5.720
6.729
NH1
NH2
NE
CD
CG
NH2
NH2
NH2
NH2
CD
NH1
NH1
NH1
C2
O3'
O3'
OP1
OP1
O3'
O3'
OP1
OP2
C2
O3'
C5'
OP1
4ym6 1 P68431 96.32 7e-93 X-RAY
2015-12-02 ARG A:53 A:49 106.0 0.471 H -51.5 -50.6 106.0 0.471 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
9.217
6.604
5.847
6.495
9.152
6.771
3.708
2.919
9.143
9.017
6.703
5.926
NH1
NH1
NH1
NH2
NH2
NH2
CD
CG
O
NH2
NH2
NH2
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP1
O3'
OP1
OP1
ARG E:53 E:49 106.0 0.471 H -52.3 -47.5 106.0 0.471 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
9.202
7.384
3.403
2.620
7.516
9.247
6.805
6.164
8.802
6.327
5.676
6.362
NH2
NH2
CD
CD
O
NH2
NH2
NH2
NH1
NH1
NH1
NH2
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP1
C2
O3'
C4'
OP1
5av5 1 P68431 96.32 7e-93 X-RAY
2015-12-23 ARG A:53 A:49 109.0 0.484 H -63.1 -41.1 109.0 0.484 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DG
DA
DA
HOH
9.470
7.662
5.582
6.532
8.993
5.685
3.598
3.151
9.147
8.998
6.899
5.348
3.971
NH2
NH2
NH2
NH2
NH2
NH1
NE
CG
CG
N
N
NH1
N
C2
O2
C4'
OP1
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
O
ARG E:53 E:49 114.0 0.507 H -62.6 -37.1 114.0 0.507 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.225
5.547
3.478
3.110
9.108
9.100
6.942
5.426
9.942
7.939
5.935
6.651
2.846
NH2
NH1
NH1
CG
CG
N
N
NH1
NH2
NH2
NH2
NH2
O
C2
O3'
C5'
OP1
OP2
O3'
OP1
OP2
C2
O2
C4'
OP1
O
5av6 1 P68431 96.32 7e-93 X-RAY
2015-12-23 ARG A:53 A:49 113.0 0.502 H -63.3 -42.8 113.0 0.502 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DG
DA
DA
HOH
9.515
7.627
5.826
6.776
8.872
5.570
3.659
3.242
9.315
8.911
6.794
5.309
2.497
NH2
NH2
NH2
NH2
NH2
NH1
NH2
CG
CG
N
N
NH1
O
C2
O3'
C4'
OP1
C2
O3'
C5'
OP1
OP2
O3'
OP1
OP2
O
ARG E:53 E:49 115.0 0.511 H -61.1 -37.0 115.0 0.511 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.146
5.589
3.585
3.207
9.198
8.983
6.810
5.212
9.596
7.789
5.901
6.724
2.737
NH2
NH1
NE
CG
CG
N
N
NH1
NH2
NH2
NH2
NH2
O
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O2
C4'
OP1
O
5av8 1 P68431 96.32 7e-93 X-RAY
2015-12-23 ARG A:53 A:49 110.0 0.489 H -65.8 -40.1 110.0 0.489 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DG
DA
DA
HOH
9.657
7.910
5.931
6.611
9.091
5.679
3.659
3.194
9.377
8.924
6.833
5.179
2.486
NH2
NH2
NH2
NH2
NH2
NH1
NE
CG
CG
N
N
NH1
O
C2
O3'
C4'
OP1
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
O
ARG E:53 E:49 112.0 0.498 H -54.1 -40.6 112.0 0.498 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.117
5.527
3.629
3.234
9.295
9.086
6.975
5.144
9.626
7.908
5.973
6.598
2.767
NH2
NH1
NH1
CG
CG
N
N
NH1
NH2
NH2
NH2
NH2
O
C2
O3'
C5'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C4'
OP1
O
5av9 1 P68431 96.32 7e-93 X-RAY
2015-12-23 ARG A:53 A:49 113.0 0.502 H -62.2 -41.7 113.0 0.502 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DG
DA
DA
HOH
9.577
7.692
5.801
6.666
8.888
5.549
3.698
3.235
9.296
8.947
6.817
5.231
2.469
NH2
NH2
NH2
NH2
NH2
NH1
NE
CG
CG
N
N
NH1
O
C2
O3'
C4'
OP1
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
O
ARG E:53 E:49 114.0 0.507 H -58.7 -39.5 114.0 0.507 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.138
5.492
3.571
3.216
9.242
8.985
6.870
5.259
9.575
7.750
5.878
6.658
2.752
NH2
NH1
NH1
CG
CG
N
N
NH1
NH2
NH2
NH2
NH2
O
C2
O3'
C5'
OP1
OP2
O3'
OP1
OP2
C2
O2
C4'
OP1
O
5avb 1 P68431 96.32 7e-93 X-RAY
2015-12-23 ARG A:53 A:49 108.0 0.48 H -64.5 -39.0 108.0 0.48 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DG
DA
DA
HOH
9.453
7.562
5.537
6.394
9.113
5.646
3.551
3.083
9.231
8.879
6.796
5.364
7.074
NH2
NH2
NH2
NH2
NH2
NH1
NE
CG
CG
N
N
NH1
O
C2
O3'
C4'
OP1
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
O
ARG E:53 E:49 112.0 0.498 H -58.2 -39.5 112.0 0.498 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.212
5.544
3.512
3.092
9.138
9.151
6.977
5.351
9.781
7.876
5.927
6.719
2.695
NH2
NH1
NH1
CG
CG
N
N
NH1
NH2
NH2
NH2
NH2
O
C2
O3'
C5'
OP1
OP2
O3'
OP1
OP2
C2
O2
C4'
OP1
O
5avc 1 P68431 96.32 7e-93 X-RAY
2015-12-23 ARG A:53 A:49 109.0 0.484 H -63.4 -41.0 109.0 0.484 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DG
DA
DA
HOH
9.486
7.646
5.590
6.459
9.035
5.657
3.539
3.180
9.238
8.955
6.829
5.404
4.006
NH2
NH2
NH2
NH2
NH2
NH1
NE
CG
CG
N
N
NH1
N
C2
O2
C4'
OP1
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
O
ARG E:53 E:49 114.0 0.507 H -60.6 -39.9 114.0 0.507 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.202
5.417
3.343
3.130
9.061
9.022
6.902
5.356
9.777
7.880
5.988
6.747
2.836
NH2
NH1
NH1
CG
CG
N
N
NH1
NH2
NH2
NH2
NH2
O
C2
O3'
C5'
OP1
OP2
O3'
OP1
OP2
C2
O2
C4'
OP1
O
5b1m 1 P68433 96.32 7e-93 X-RAY
2017-02-15 ARG A:53 A:49 116.0 0.516 H -59.4 -43.6 116.0 0.516 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
9.138
7.156
5.984
6.666
9.293
5.325
3.283
3.443
7.503
8.988
6.955
5.007
9.854
CD
CD
NH1
NH1
NH1
NH2
NH2
CG
O
N
N
NH2
NH2
O2
O3'
C4'
OP1
O2
O3'
C5'
OP1
OP2
O3'
OP1
OP2
OP2
ARG E:53 E:49 110.0 0.489 H -55.0 -42.6 110.0 0.489 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
8.937
5.303
3.138
3.054
8.172
8.926
6.877
5.420
9.234
7.684
5.977
6.303
2.867
NH2
NH1
CD
CG
O
N
N
NH1
NH2
NH2
NH2
NH2
O
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
C2
O2
C4'
OP1
O
5b24 1 P68431 96.32 7e-93 X-RAY
2016-03-02 ARG A:53 A:49 95.0 0.422 H -62.5 -45.7 95.0 0.422 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
9.549
7.560
5.802
6.546
9.732
5.267
3.761
3.171
9.126
8.943
6.798
5.603
9.618
CD
NH1
NH1
NH1
NH2
NH2
CD
CD
CG
N
N
NH2
NH2
O2
O3'
C4'
OP1
O2
O3'
O3'
OP2
OP1
O3'
OP1
OP1
OP2
ARG E:53 E:49 118.0 0.524 H -57.6 -52.6 118.0 0.524 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
9.507
5.683
3.126
2.979
7.928
9.493
7.154
5.555
9.397
7.126
5.671
6.901
NH1
NH2
CD
CD
O
N
NH2
NH2
NH1
NH1
NH1
NH1
C2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
C2
O3'
C5'
OP1
5b2i 1 P68431 96.32 7e-93 X-RAY
2016-06-15 ARG A:53 A:49 109.0 0.484 H -68.8 -41.7 109.0 0.484 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
8.297
6.869
5.209
7.207
8.801
5.343
3.512
3.402
8.643
9.118
7.027
5.494
NH2
NH2
NH2
NH2
NH2
NH1
NH1
CG
O
N
N
NH1
C2
O3'
C5'
OP1
C2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
ARG E:53 E:49 111.0 0.493 H -61.3 -45.0 111.0 0.493 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DC
DA
DT
DT
DG
9.105
5.318
3.368
3.169
8.258
9.146
7.023
5.465
9.531
9.069
7.741
6.153
7.505
NH2
NH1
NH1
CG
O
N
N
NH1
NH1
NH2
NH2
NH2
NH2
C2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
OP2
C2
O2
C4'
OP1
5b2j 1 P68431 96.32 7e-93 X-RAY
2016-06-15 ARG A:53 A:49 109.0 0.484 H -68.3 -36.3 109.0 0.484 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
HOH
9.647
7.505
5.612
6.379
9.306
5.602
3.630
3.135
8.845
9.047
6.920
5.621
8.085
NH2
NH2
NH2
NH2
NH2
NH1
CD
CG
CG
N
N
NH1
N
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
O
ARG E:53 E:49 111.0 0.493 H -60.4 -38.9 111.0 0.493 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.395
5.509
3.594
3.087
8.736
9.071
6.854
5.543
9.569
7.965
5.968
6.916
2.850
NH2
NH1
NH1
CG
CG
N
N
NH1
NH2
NH2
NH2
NH2
O
N3
O3'
C5'
OP1
OP1
O3'
OP1
OP2
C2
O3'
C4'
OP1
O
5b31 1 P68431 96.32 7e-93 X-RAY
2016-08-03 ARG A:53 A:49 111.0 0.493 H -60.2 -47.4 111.0 0.493 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
HOH
9.521
7.464
5.634
6.617
8.669
5.442
3.333
2.890
9.471
8.903
6.382
4.605
9.473
3.709
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH2
CA
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP1
O
ARG E:53 E:49 111.0 0.493 H -56.3 -42.0 111.0 0.493 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.205
5.481
3.504
3.161
7.695
8.943
6.892
5.336
9.385
7.736
5.712
6.467
2.657
NH2
NH1
CD
CG
O
N
N
NH1
NH2
NH2
NH2
NH2
O
N3
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C4'
OP1
O
5cpi 1 P68431 96.32 7e-93 X-RAY
2015-10-28 ARG A:53 A:49 109.0 0.484 H -67.3 -44.3 109.0 0.484 0.0 DG
DA
DA
DT
DC
DT
DA
DT
DT
DC
DC
DC
DA
DT
8.976
7.763
6.939
5.629
5.762
8.952
8.950
6.350
3.097
2.991
6.158
9.379
7.139
9.623
NH2
NH2
NH2
NH1
NH1
CD
NH2
NH2
NH2
NH2
NH1
N
N
CD
N2
C2
N3
C4'
C5'
OP1
C2
O2
O4'
O4'
OP1
O3'
OP1
OP2
ARG E:53 E:49 173.0 0.769 H -63.2 -48.0 173.0 0.769 0.0 DA
DA
DT
DG
DC
DT
DC
DT
DG
DG
6.248
2.894
3.063
6.558
9.234
7.019
8.351
9.024
8.907
9.647
NH1
CZ
NH2
NE
N
N
NH1
CB
CB
CB
O3'
O3'
OP2
OP2
O3'
OP1
OP2
O3'
C4'
OP1
5cpj 1 P68431 96.32 7e-93 X-RAY
2015-10-28 ARG A:53 A:49 191.0 0.849 H -56.7 -35.4 191.0 0.849 0.0 DG
DA
DA
DT
DC
DT
DA
DT
DT
DC
DC
DC
DA
DT
9.327
7.784
6.240
5.652
5.657
9.011
8.678
6.465
2.826
3.073
7.171
9.349
7.333
8.727
NH2
NH2
NH2
NH1
NH1
CD
NH2
NH2
NH2
NE
NH1
N
N
CD
N2
N1
C2
O3'
C5'
OP1
C2
O2
O3'
OP1
OP1
O3'
OP1
OP2
ARG E:53 E:49 109.0 0.484 H -51.4 -37.4 109.0 0.484 0.0 DA
DA
DA
DT
DG
DC
DT
DC
DT
DT
DG
DG
9.039
7.217
3.017
2.997
6.780
8.778
6.288
6.857
8.354
6.225
4.819
6.648
NH2
NH2
NE
CD
O
NH1
NH1
NH1
NH2
NH2
NH2
NH1
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP1
O2
O3'
C5'
OP1
5cpk 1 P68431 96.32 7e-93 X-RAY
2015-10-28 ARG A:53 A:49 117.0 0.52 H -75.8 -30.1 117.0 0.52 0.0 DA
DA
DA
DT
DG
DT
DT
DC
DC
DT
DG
DT
9.943
7.386
5.158
3.863
6.848
7.153
3.936
3.543
8.071
9.313
7.187
7.174
NH2
NH2
NH2
NH2
NH1
NH2
NE
CD
O
N
N
NH1
C2
C2
O3'
C5'
OP1
O2
O3'
OP1
OP2
O3'
OP1
OP2
ARG E:53 E:49 94.0 0.418 H -72.0 -30.7 94.0 0.418 0.0 DT
DG
DG
DA
DA
DT
DT
5CM
DC
DA
DT
DG
9.097
5.941
3.308
3.127
7.541
9.008
6.774
5.991
9.240
6.888
5.364
6.673
NH2
NH2
CD
CD
O
N
NH2
NH2
NH1
NH1
NH1
NH2
O2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O2
O3'
C5'
OP1
5gse 1 P68431 96.32 7e-93 X-RAY
2017-05-03 ARG A:53 A:49 110.0 0.489 H -58.9 -42.9 110.0 0.489 0.0 DG
DA
DG
DT
DA
DT
DC
DC
DC
DC
DG
DC
DG
8.834
8.798
6.976
5.601
7.495
5.653
3.538
3.626
7.453
9.039
6.365
4.456
9.430
CD
NH1
N
N
NH1
NH1
NH1
CG
O
N
NH2
NH2
NH2
N2
C2
O3'
OP1
OP1
O3'
C5'
OP1
OP1
O3'
C3'
OP2
OP2
ARG E:53 E:49 129.0 0.573 H -56.9 -43.2 129.0 0.573 0.0 DT
DG
DT
DA
DG
DT
DG
DC
DA
DT
DC
DC
5.625
3.267
2.835
8.440
8.905
6.540
5.003
9.420
9.095
7.855
6.465
8.227
NH2
NH1
NH1
O
N
N
NH2
NH2
CD
CD
CD
NE
O3'
O3'
OP1
OP2
O3'
OP1
OP2
OP2
C2
O3'
C5'
OP1
ARG K:53 K:49 182.0 0.809 H -52.9 -31.8 182.0 0.809 0.0 DG
DT
DG
9.485
7.321
9.252
N
N
NE
O3'
OP1
OP1
ARG O:53 O:49 130.0 0.578 H -55.9 -44.5 130.0 0.578 0.0 DT
DC
DT
DC
DG
DA
DA
DT
DC
DC
DG
DC
DG
9.929
7.973
6.956
7.531
9.789
5.780
3.399
3.483
7.995
8.977
6.838
4.910
9.675
CD
CD
NH1
NH1
NH1
NH1
NH1
NE
O
N
N
NH2
NH2
O2
O3'
C4'
OP1
N2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
OP2
5gtc 1 P68431 96.32 7e-93 X-RAY
2017-06-28 ARG A:53 A:49 110.0 0.489 H -60.1 -37.6 110.0 0.489 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
9.322
7.070
5.621
7.123
8.942
5.727
3.104
2.982
8.505
9.015
6.776
5.365
9.783
NH1
CD
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH2
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
OP2
ARG E:53 E:49 109.0 0.484 H -54.8 -41.5 109.0 0.484 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
9.397
5.751
3.400
3.127
8.829
8.926
6.662
5.531
8.964
7.030
5.755
6.831
NH1
NH2
CD
CG
O
N
N
NH2
NH1
NH1
NH1
NH2
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C5'
OP1
5jrg 1 P68431 96.32 7e-93 X-RAY
2017-03-08 ARG A:53 A:49 93.0 0.413 H -61.2 -40.1 93.0 0.413 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
HOH
9.464
7.482
5.734
6.659
9.412
5.956
3.549
3.129
7.089
9.046
6.814
5.554
6.795
NE
NE
NH2
NH2
NH2
NH2
CD
CD
O
N
N
NH1
O
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O
ARG E:53 E:49 108.0 0.48 H -61.6 -41.0 108.0 0.48 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
DT
DT
DG
HOH
9.027
5.626
3.268
3.052
8.368
9.054
6.860
5.338
9.120
7.466
5.583
6.472
5.832
NH2
NH1
CD
CD
O
N
N
NH1
NH2
NH2
NH2
NH2
N
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
C2
O2
C4'
OP1
O
5y0c 2 P68431 96.32 7e-93 X-RAY
2018-07-18 ARG C:53 A:49 112.0 0.498 H -56.8 -41.5 112.0 0.498 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
HOH
9.261
7.395
6.077
6.831
9.539
5.469
3.675
3.857
7.679
9.080
6.923
4.996
9.778
3.896
CD
CD
NH1
NH1
NH1
NH2
NE
CG
O
N
N
NH2
NH2
N
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
OP2
O
ARG G:53 E:49 109.0 0.484 H -56.9 -40.9 109.0 0.484 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DC
DA
DT
DT
DG
HOH
9.340
5.286
3.418
3.212
8.404
9.062
6.819
4.872
9.678
9.421
7.495
5.967
6.703
2.691
NH1
NH2
NE
CG
O
N
NH2
NH2
NH2
NH1
CD
NH1
NH1
NH2
C2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
OP2
C2
O3'
C4'
OP1
O
5y0d 1 P68431 96.32 7e-93 X-RAY
2018-07-18 ARG A:53 A:49 109.0 0.484 H -57.9 -44.2 109.0 0.484 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
HOH
9.181
7.612
5.723
6.529
9.194
5.112
3.588
3.445
7.950
9.032
6.901
5.263
3.745
CD
CD
NH1
NH1
NH1
NH2
NE
CG
O
N
N
NH2
N
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O
ARG E:53 E:49 112.0 0.498 H -58.9 -43.4 112.0 0.498 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DC
DA
DT
DT
DG
HOH
9.064
5.333
3.351
3.260
8.433
8.992
6.825
5.016
9.863
9.362
7.462
5.731
6.720
2.835
NH1
NH2
NE
CG
CG
N
N
NH2
NH2
CD
CD
NH1
NH1
NH2
C2
O3'
O3'
OP1
P
O3'
OP1
OP2
OP2
C2
O3'
C4'
OP1
O
5z30 1 P68431 96.32 7e-93 X-RAY
2018-07-18 ARG A:53 A:49 101.0 0.449 H -58.9 -41.8 101.0 0.449 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
HOH
9.147
7.160
5.709
6.700
9.275
5.209
3.459
3.601
7.820
9.030
6.922
5.207
4.859
CD
CD
NH1
NH1
NH1
NH2
NH2
CG
O
N
N
NH2
O
O2
O3'
C4'
OP1
O2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
O
ARG E:53 E:49 97.0 0.431 H -60.3 -41.7 97.0 0.431 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
8.960
5.325
3.324
2.974
8.483
9.047
6.869
5.057
9.451
7.461
5.831
6.710
2.694
NH1
NH2
CD
CG
CG
N
NH2
NH2
NH1
CD
NH1
NH1
NH2
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
C2
O3'
C4'
OP1
O
6hkt 1 P68431 96.32 7e-93 X-RAY
2018-10-31 ARG A:53 A:49 109.0 0.484 H -64.5 -34.9 109.0 0.484 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
8.244
7.890
5.476
7.135
9.338
5.430
3.821
4.570
8.377
9.085
6.952
5.346
NH1
NH1
NH1
NH1
NH1
NH2
NH2
CG
O
NH2
NH2
NH2
C2
O4'
C4'
C5'
N3
O3'
C5'
OP1
OP1
O3'
OP1
OP2
ARG E:53 E:49 112.0 0.498 H -61.3 -38.8 112.0 0.498 0.0 DA
DA
DT
DC
DC
DG
DC
DG
DC
DT
DC
7.344
4.411
4.174
9.397
8.329
5.786
3.968
8.934
8.231
6.005
6.815
NH1
CD
CD
O
N
NH2
NH2
NH2
CD
NH1
NH1
O3'
O3'
OP1
OP1
O3'
C3'
OP2
OP2
O3'
C4'
OP1
ARG K:53 a:49 108.0 0.48 H -60.5 -39.2 108.0 0.48 0.0 DA
DT
DC
DC
DG
DT
DG
DT
DA
DG
DT
DG
8.808
8.103
5.004
6.298
9.731
5.475
4.154
5.174
8.914
8.645
6.564
5.134
NH1
NH1
NH1
NH1
NH1
NH2
NH2
O
O
NH2
NH2
NH2
C2
O3'
C4'
OP1
N2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
ARG O:53 e:49 112.0 0.498 H -63.1 -37.5 112.0 0.498 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DG
DC
DT
DC
9.037
6.499
3.439
3.177
8.247
8.703
6.444
4.438
8.898
8.023
5.868
6.880
NH1
NH1
CD
CG
O
N
N
NH2
NH2
CD
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
OP2
O3'
C4'
OP1
ARG S:53 K:49 110.0 0.489 H -62.8 -37.7 110.0 0.489 0.0 DA
DT
DC
DC
DT
DG
DT
DA
DG
DT
DG
8.485
7.460
5.310
7.234
6.706
4.073
4.273
7.607
9.310
7.003
6.338
NH1
NH1
NH1
NH1
NH2
NE
NE
CG
NH2
NH2
NH2
C2
O4'
C5'
OP1
O3'
O3'
OP1
OP1
O3'
OP1
OP2
ARG W:53 O:49 111.0 0.493 H -62.0 -39.9 111.0 0.493 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DC
DT
DC
9.086
7.771
4.042
3.458
7.981
9.086
6.913
5.585
7.725
5.889
7.658
NH1
NH2
NE
NE
O
NH2
NH2
NH2
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O3'
C5'
OP1
ARG AA:53 k:49 114.0 0.507 H -60.7 -39.8 114.0 0.507 0.0 DA
DT
DC
DC
DT
DG
DT
DA
DG
DT
DG
9.308
8.702
6.259
7.048
6.383
4.088
4.230
8.887
8.879
6.786
5.085
NH1
NH1
NH1
NH1
NH2
NE
NE
O
NH2
NH1
NH2
C2
C4'
C4'
OP1
O3'
O3'
OP1
OP1
O3'
OP1
OP2
ARG EA:53 o:49 106.0 0.471 H -60.5 -40.2 106.0 0.471 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DG
DC
DT
DC
9.848
6.988
4.167
3.841
8.730
8.377
6.256
4.351
9.109
8.599
6.588
7.505
NH1
NH1
NE
CD
CG
N
N
NH2
NH2
CD
NH1
NH1
N2
O3'
O3'
OP1
P
O3'
OP1
OP2
OP2
O3'
C4'
OP1
ARG IA:53 U:49 112.0 0.498 H -64.9 -35.0 112.0 0.498 0.0 DA
DT
DC
DC
DT
DG
DT
DA
DG
DT
DG
DC
9.276
9.332
6.815
7.437
6.282
3.685
3.642
8.398
8.730
6.742
4.742
9.864
NH1
NH1
NH1
NH1
NH2
CD
CG
CG
NH2
NH2
NH2
NH2
C2
O4'
C4'
OP1
O3'
O3'
OP1
OP1
O3'
C3'
OP2
OP2
ARG MA:53 Y:49 114.0 0.507 H -60.4 -38.7 114.0 0.507 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DG
DC
DT
DC
9.755
7.578
4.670
4.471
9.263
8.373
5.751
3.948
9.262
8.371
5.993
6.649
NH1
NH2
NE
CD
O
NH2
NH2
NH2
NH2
CD
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
OP2
O3'
O3'
OP1
ARG QA:53 u:49 113.0 0.502 H -62.2 -36.2 113.0 0.502 0.0 DA
DT
DC
DC
DT
DG
DT
DA
DG
DT
DG
DC
9.220
8.922
6.203
7.425
5.841
3.391
3.869
8.507
8.944
6.876
5.095
9.807
NH1
CD
NH1
NH1
NH2
NE
CD
O
N
N
NH2
NH2
C2
C4'
C5'
OP1
O3'
O3'
OP1
OP1
O3'
OP1
OP2
OP2
ARG UA:53 y:49 112.0 0.498 H -62.9 -36.7 112.0 0.498 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DG
DC
DT
DC
9.435
6.939
3.680
3.087
8.014
8.865
6.524
4.610
9.419
8.420
6.310
8.067
NH1
NH1
NE
CD
CG
N
NH2
NH2
NH2
CD
NH1
NH1
N2
O3'
O3'
OP1
P
O3'
C3'
OP2
OP2
O3'
C4'
OP1
6jou 1 P68431 96.32 7e-93 X-RAY
2020-03-25 ARG A:53 A:49 99.0 0.44 H -57.9 -41.9 99.0 0.44 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
HOH
9.010
7.349
5.706
6.664
9.277
5.328
3.425
3.493
7.931
8.975
6.851
5.086
2.750
CD
CD
NH1
NH1
NH1
NH2
NE
CG
O
N
NH2
NH2
NH2
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
O
ARG E:53 E:49 106.0 0.471 H -59.1 -38.8 106.0 0.471 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
8.919
5.679
3.207
3.432
8.593
9.102
6.952
5.091
9.384
7.382
5.817
6.562
2.777
NH1
NH2
NE
CD
O
N
NH2
NH2
NH1
CD
NH1
NH1
NH2
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
C2
O3'
C4'
OP1
O
6jr0 1 P68431 96.32 7e-93 X-RAY
2019-10-02 ARG A:53 A:49 108.0 0.48 H -61.2 -40.2 108.0 0.48 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
HOH
9.625
8.035
5.769
6.694
9.156
5.081
3.174
3.078
8.018
9.068
6.974
5.625
6.845
NH2
NH2
NH2
NH2
NH2
NH1
CD
CD
O
N
N
NH1
O
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O
ARG E:53 E:49 99.0 0.44 H -61.3 -39.6 99.0 0.44 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.153
5.276
3.306
3.071
8.572
9.076
6.835
5.618
9.146
7.278
5.237
6.387
3.063
NH2
NH1
CD
CG
O
N
N
NH1
NH2
NH2
NH2
NH2
O
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
C2
O3'
C4'
OP1
O
6jr1 1 P68431 96.32 7e-93 X-RAY
2019-10-02 ARG A:53 A:49 110.0 0.489 H -59.4 -40.2 110.0 0.489 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
HOH
9.199
7.626
5.558
6.742
9.367
5.216
3.159
3.332
8.348
9.061
6.749
4.986
3.109
CD
NH1
NH1
NH1
NH1
NH2
CD
CG
O
N
NH2
NH2
O
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
O
ARG E:53 E:49 115.0 0.511 H -58.7 -40.1 115.0 0.511 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DC
DA
DT
DT
DG
HOH
9.606
5.217
3.176
3.464
8.825
9.036
6.866
5.092
9.631
9.635
7.662
6.258
7.046
2.281
NH1
NH2
NE
CD
O
N
N
NH2
NH2
CD
CD
NH1
NH1
NH2
N3
O3'
O3'
OP1
OP2
O3'
OP1
OP2
OP2
C2
O3'
C4'
OP1
O
6k1i 1 P68431 96.32 7e-93 X-RAY
2020-01-15 ARG A:53 A:49 109.0 0.484 H -54.1 -46.2 109.0 0.484 0.0 DA
DT
DA
DT
DA
DT
DA
DT
DG
DG
DT
DG
DC
HOH
9.651
8.026
6.002
7.046
9.674
6.052
3.264
3.724
8.186
9.085
6.717
4.798
9.817
5.350
CD
CG
NH1
NH1
NH1
NH2
NE
CD
O
N
N
NH2
NH2
N
C2
O3'
C4'
OP1
N3
O3'
O3'
OP1
OP1
O3'
OP1
OP2
OP2
O
ARG E:53 E:49 107.0 0.476 H -51.9 -49.6 107.0 0.476 0.0 DA
DT
DA
DT
DC
DC
DG
DC
DA
DT
DA
DT
HOH
9.391
5.416
3.403
3.079
8.278
9.030
6.406
4.686
9.095
7.932
5.671
7.114
3.455
NH1
NH2
CD
CG
O
N
NH2
NH2
NH1
NH1
NH1
NH1
CD
C2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
C2
O2
C4'
OP1
O
6k1j 1 P68431 96.32 7e-93 X-RAY
2020-01-15 ARG A:53 A:49 110.0 0.489 H -63.8 -45.0 110.0 0.489 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
DA
9.787
7.590
5.579
6.258
9.278
5.261
3.488
2.961
8.989
8.983
6.711
5.316
9.609
NH1
NH1
NH1
NH1
NH1
NH2
CD
CG
CG
N
N
NH2
NH2
C2
O3'
C4'
OP1
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP1
OP2
ARG E:53 E:49 108.0 0.48 H -54.7 -39.0 108.0 0.48 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
DT
DT
DG
9.797
7.033
3.684
3.014
8.869
8.967
6.762
5.689
9.631
6.614
5.390
6.625
NH2
NH2
CD
CG
O
N
N
NH2
NH1
NH1
NH1
NH2
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
C2
O3'
C5'
OP1
6k1k 1 P68431 96.32 7e-93 X-RAY
2020-01-15 ARG A:53 A:49 116.0 0.516 H -52.8 -45.3 116.0 0.516 0.0 DT
DG
DT
DG
DA
DA
DT
DC
DG
DT
DG
HOH
9.297
7.719
6.176
6.905
5.765
3.116
3.369
8.048
9.044
6.907
5.370
6.762
CD
CG
NH1
NH1
NH2
NE
NE
O
N
N
NH2
O
O2
O3'
C4'
OP1
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O
ARG E:53 E:49 109.0 0.484 H -56.3 -43.9 109.0 0.484 0.0 DA
DA
DT
DC
DG
DT
DG
DG
DT
DG
HOH
5.320
3.580
3.300
9.325
9.165
6.954
5.109
7.793
5.881
7.189
7.363
NH2
CD
CD
CG
N
NH2
NH2
NH1
NH1
NH1
O
O3'
O3'
OP1
OP2
O3'
O3'
OP2
O3'
C4'
OP1
O
6kvd 2 P68431 96.32 7e-93 X-RAY
2019-12-18 ARG C:53 A:49 114.0 0.507 H -56.7 -38.5 114.0 0.507 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
9.430
7.636
6.068
6.748
9.456
5.170
3.413
3.398
8.230
9.000
6.804
5.018
9.951
CD
CD
NH1
NH1
NH1
NH2
NE
CG
O
N
N
NH2
NH2
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
OP2
ARG G:53 E:49 110.0 0.489 H -56.1 -37.1 110.0 0.489 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DC
DA
DT
DT
DG
HOH
9.377
5.205
3.229
3.006
8.554
9.066
6.887
4.964
9.545
9.686
7.855
6.024
6.550
2.584
NH1
NH2
CD
CG
CG
N
NH2
NH2
NH2
NH1
CD
NH1
NH1
NH2
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP2
C2
O3'
C4'
OP1
O
6l49 7 P68431 96.32 7e-93 EM
2019-12-04 ARG K:53 K:49 102.0 0.453 H -67.3 -37.7 102.0 0.453 0.0 DT
DC
DG
DA
DA
DT
DG
DT
DA
DG
DT
DG
8.632
6.061
5.564
6.128
7.689
3.854
3.703
4.608
9.429
9.006
6.554
5.033
CD
NH1
NH1
NH1
NH2
NE
NE
O
O
N
NH2
NH2
O2
O3'
C5'
OP2
O3'
O3'
C5'
OP1
OP1
O3'
O3'
OP1
ARG O:53 O:49 119.0 0.529 H -65.5 -37.7 119.0 0.529 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DC
DT
DG
7.923
9.065
5.607
6.141
9.555
8.470
6.282
4.521
5.568
4.514
6.993
NH1
NH2
NH2
NE
O
N
NH2
NH2
CD
NH1
NH1
N2
O3'
C4'
OP1
OP1
O3'
O3'
OP2
O3'
C5'
OP1
ARG S:53 S:49 113.0 0.502 H -65.1 -37.8 113.0 0.502 0.0 DA
DT
DC
DG
DA
DT
DG
DT
DG
DT
DG
DC
9.501
9.069
7.185
8.372
9.741
5.973
4.347
5.355
8.571
6.438
5.043
8.949
NE
NH1
NH1
NH1
NH2
NH2
NE
CG
N
NH1
NH2
NH2
C2
C4'
C5'
OP1
N3
O3'
C4'
OP1
O3'
OP1
OP2
OP2
ARG W:53 W:49 121.0 0.538 H -68.8 -37.6 121.0 0.538 0.0 DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DG
6.853
2.986
3.770
7.152
9.665
6.501
4.994
9.531
9.688
5.546
9.489
NH2
NE
CG
O
NH1
NH2
NH2
CD
CD
NH1
NH1
O3'
O3'
OP1
OP1
O3'
O3'
OP2
O2
O3'
O4'
O4'
6l4a 1 P68431 96.32 7e-93 EM
2019-12-04 ARG A:53 A:49 117.0 0.52 H -66.3 -37.2 117.0 0.52 0.0 DT
DC
DG
DT
DG
DT
DA
DG
DT
DG
8.889
6.579
7.496
6.159
3.236
3.384
8.180
9.312
7.083
5.835
NH1
NH1
NH1
NH2
NE
CG
CG
N
NH1
NH2
O3'
C5'
OP1
O3'
O3'
OP1
P
O3'
OP1
OP2
ARG E:53 E:49 125.0 0.556 H -66.2 -36.9 125.0 0.556 0.0 DG
DA
DA
DT
DC
DG
DC
DC
DT
DG
9.118
4.391
2.951
4.158
9.104
6.749
5.146
9.473
7.819
7.503
NH1
NH2
NH2
CD
NH2
NH2
NH2
NH1
NH1
NH1
N2
O3'
OP1
OP1
O3'
C3'
OP2
O2
O3'
O5'
ARG K:53 K:49 102.0 0.453 H -65.5 -40.9 102.0 0.453 0.0 DC
DG
DA
DG
DA
DT
DG
DT
DG
DT
DG
7.238
6.527
5.877
9.876
8.700
5.546
4.631
6.042
9.105
6.968
5.660
NH1
NH1
NH1
NH1
NH2
NH2
NE
O
N
NH2
NH2
O3'
OP1
OP2
N2
O3'
C4'
C5'
OP1
O3'
OP1
OP2
ARG O:53 O:49 117.0 0.52 H -65.8 -37.7 117.0 0.52 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DG
8.061
6.406
3.277
3.513
7.433
9.242
7.035
5.392
9.286
6.808
4.827
6.710
NH1
NH2
NE
NE
O
N
N
NH2
CD
CD
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O2
O3'
C5'
OP1
ARG S:53 S:49 106.0 0.471 H -66.0 -39.8 106.0 0.471 0.0 DA
DT
DC
DG
DT
DG
DT
DA
DG
DT
DG
9.641
9.198
6.929
8.171
5.916
3.210
3.333
8.136
8.979
6.565
5.434
CD
NH1
NH1
NH1
NH2
NE
CG
CG
N
NH1
NH2
C2
C4'
C5'
OP1
O3'
O3'
OP1
OP2
O3'
OP1
OP2
ARG W:53 W:49 126.0 0.56 H -67.8 -35.0 126.0 0.56 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DG
DT
DC
DT
DG
9.458
7.441
3.455
3.540
7.211
9.166
7.003
5.124
9.662
9.969
9.206
5.845
9.478
NH1
NH2
NE
NE
CG
N
NH2
NH2
NH2
CD
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
OP2
O2
O3'
O4'
P
6r8y 1 P68431 96.32 7e-93 EM
2019-06-12 ARG A:53 A:50 141.0 0.627 H -61.1 -39.8 141.0 0.627 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
6.287
4.299
4.141
7.369
6.901
6.475
2.457
2.542
7.884
8.422
6.570
7.077
HH22
HH22
HH21
HH21
HH22
HH22
HD3
HD3
NH1
H
H
HD2
H2
H4'
H4'
H5'
H2
O2
O3'
OP1
P
O3'
OP1
OP2
ARG E:53 E:50 137.0 0.609 H -64.0 -40.4 137.0 0.609 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
DT
DT
DG
7.578
6.888
2.294
2.076
7.694
8.091
5.706
6.668
6.694
4.667
3.685
6.832
HH22
HE
HH11
HH11
HH12
H
H
HE
HH22
HH22
HH22
HH21
H2
O3'
O3'
OP1
P
O3'
OP1
OP2
H2
H1'
H5'
OP1
6r8z 1 P68431 96.32 7e-93 EM
2019-06-12 ARG A:53 A:50 144.0 0.64 H -59.3 -40.9 144.0 0.64 0.0 DT
DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
9.960
6.885
4.754
4.309
7.412
7.423
6.924
2.164
2.265
7.626
8.927
7.169
7.607
HH12
HH22
HH22
HH21
HH21
HH22
HH22
HH11
HH12
HH12
H
H
HD2
H3
H2
O3'
H4'
H5'
H2
O2
O3'
H5'
P
H3'
OP1
OP2
ARG E:53 E:50 147.0 0.653 H -59.0 -42.4 147.0 0.653 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DT
DA
DT
DT
DG
6.683
5.868
1.777
2.151
7.695
8.474
6.083
6.705
9.463
5.551
4.101
3.198
7.003
HH22
HH22
HH11
HH12
HH12
H
H
HD2
HH12
HH22
HH22
HH21
HH21
H2
O2
O3'
H5'
P
O3'
OP1
OP2
O2
H2
H1'
H5'
H5'
6r90 1 P68431 96.32 7e-93 EM
2019-06-12 ARG A:53 A:50 114.0 0.507 H -60.8 -40.4 114.0 0.507 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
8.032
6.939
5.072
7.312
8.140
5.199
2.565
2.700
8.587
8.546
5.956
5.041
HH11
HH11
HH11
HH12
HH12
HH12
HD2
HG3
HG3
H
HH22
HH22
H2
H1'
H5''
OP1
H2
O3'
O3'
OP1
OP1
O3'
H3'
OP2
ARG E:53 E:50 119.0 0.529 H -61.7 -39.5 119.0 0.529 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
DA
DT
DT
DG
8.312
4.473
2.523
3.319
8.454
7.853
5.660
4.072
8.742
7.287
6.742
5.249
7.413
HH11
HH12
HD2
HG2
HG3
H
HH22
HH22
HH22
HH11
HD3
HH11
HH12
H2
O3'
O3'
OP1
P
O3'
H3'
OP2
OP2
H2
O3'
H4'
H5'
6r91 1 P68431 96.32 7e-93 EM
2019-06-12 ARG A:53 A:50 155.0 0.689 H -63.4 -37.6 155.0 0.689 0.0 DG
DA
DT
DA
DT
DC
DC
DA
DC
DA
DT
DG
8.553
8.504
6.147
8.604
9.454
4.009
1.769
2.203
9.013
8.561
6.262
6.368
HD2
HD2
HD2
HB2
HH12
HH12
HH12
HE
HH21
H
H
HH11
H21
H4'
H5''
OP1
H2''
O3'
OP1
OP1
H5
O3'
OP1
OP1
ARG E:53 E:50 137.0 0.609 H -62.8 -36.7 137.0 0.609 0.0 DT
DC
DA
DA
DT
DC
DT
DG
DT
DG
DA
DT
9.287
6.939
3.495
2.231
6.558
8.481
6.182
7.646
9.334
5.112
4.751
3.720
HH21
HH21
HD3
HH11
HH12
H
H
HD2
HH22
HH22
HH22
HH21
O2
H4'
O3'
H5''
P
O3'
OP1
OP1
O2
H21
O3'
H5''
6r92 4 P68431 96.32 7e-93 EM
2019-06-12 ARG D:53 A:50 141.0 0.627 H -63.9 -37.3 141.0 0.627 0.0 DA
DT
DT
DG
DA
DA
DA
DT
DA
DT
DG
DA
DA
8.107
5.750
4.361
3.559
5.631
6.407
4.931
1.884
2.199
8.085
9.164
6.672
7.155
HH22
HH22
HH22
HH21
HH21
HH22
HH22
HH12
HH11
HH12
H
H
HD2
H2
O2
H4'
H5'
OP2
H2
H2
O3'
OP1
P
O3'
OP1
OP1
ARG H:53 E:50 140.0 0.622 H -63.9 -37.4 140.0 0.622 0.0 DA
DT
DA
DT
DC
DC
DA
DC
DA
DA
DT
DA
DT
DT
9.375
7.363
5.758
2.225
3.345
9.123
9.171
6.962
7.396
8.306
7.046
4.093
2.695
6.520
HH21
HH22
HH22
HH12
HH11
HH12
H
H
HD2
HH12
HH22
HH22
HH21
HH21
H2
O2
H4'
H4'
OP1
H5'
O3'
OP1
OP1
H2
O2
H4'
H5'
H5'
6r93 3 P68431 96.32 7e-93 EM
2019-06-12 ARG C:53 A:50 135.0 0.6 H -63.7 -38.1 135.0 0.6 0.0 DT
DA
DT
DT
DG
DA
DA
DT
DA
DT
DC
DA
DA
DC
9.843
4.774
3.270
3.872
7.053
8.594
5.987
5.111
2.399
2.657
8.378
9.016
6.625
7.574
HH22
HH22
HH22
HH21
HH21
HH21
HH22
HH22
HH11
HH12
HH12
H
H
HD2
H3
H2
O4'
H4'
H5'
H2
H2
O2
O3'
H5'
P
O3'
OP1
OP1
ARG G:53 E:50 116.0 0.516 H -63.3 -36.6 116.0 0.516 0.0 DA
DA
DT
DA
DT
DC
DA
DA
DC
DA
DT
DT
DG
8.766
6.063
5.423
2.488
3.419
9.378
8.451
6.063
6.174
6.071
4.553
3.518
6.268
HH22
HH22
HH22
NH1
HB3
HH12
H
H
HE
HH22
HH22
HH22
HH21
H2
H2
H1'
H4'
OP1
H5'
O3'
OP1
OP1
H2
H1'
OP1
H5'
6r94 3 P68431 96.32 7e-93 EM
2019-06-12 ARG C:53 A:50 132.0 0.587 H -63.8 -37.7 132.0 0.587 0.0 DT
DA
DT
DT
DG
DA
DA
DT
DA
DT
DC
DA
DA
DC
9.433
5.518
2.890
2.349
6.020
9.675
6.459
5.234
2.818
3.116
8.394
8.731
6.400
7.040
HH12
HH22
HH22
HH21
HH21
HH21
HH22
HH22
HH11
HG2
HH11
H
H
HD2
O2
H2
H1'
H5'
H5'
H2
H2
O2
H4'
OP1
P
O3'
OP1
OP2
ARG G:53 E:50 144.0 0.64 H -63.2 -37.1 144.0 0.64 0.0 DA
DA
DT
DA
DT
DC
DA
DA
DC
DT
DA
DT
DT
DG
9.581
5.970
5.562
3.080
2.835
8.490
8.520
6.306
7.762
9.764
5.254
3.225
2.607
7.012
HH21
HH21
HH21
HD3
HD3
HH11
H
H
HD2
HH22
HH22
HH22
HH22
HH21
H2
H2
O2
O3'
OP1
P
O3'
OP1
OP2
H3
H2
H1'
H5'
H5'
6t90 1 P68431 96.32 7e-93 EM
2020-05-06 ARG A:53 A:50 129.0 0.573 H -59.0 -49.2 129.0 0.573 0.0 DA
DT
DC
DT
DG
DT
DA
DG
DT
DG
9.538
7.899
7.002
4.928
3.768
4.249
9.637
9.907
7.306
5.414
CD
CG
CG
NH2
NH1
CD
O
NH2
NH2
NH2
C2
O3'
C5'
O3'
O5'
OP1
OP1
O3'
O3'
OP2
6t93 1 P68431 96.32 7e-93 EM
2020-05-06 ARG A:53 A:50 129.0 0.573 H -64.8 -38.0 129.0 0.573 0.0 DA
DT
DC
DC
DT
DG
DT
DA
DT
DG
9.792
8.036
6.574
7.337
5.877
3.451
3.689
9.601
7.504
5.789
CD
CD
NE
NE
NH2
NH1
NH1
CD
NH2
NH2
C2
C4'
C5'
OP1
O3'
O3'
OP1
P
O3'
OP2
ARG E:53 E:50 113.0 0.502 H -64.5 -39.9 113.0 0.502 0.0 DG
DA
DC
DT
DT
DC
DG
DC
DC
DT
DC
9.435
6.297
3.138
2.816
9.737
9.759
7.639
6.513
7.860
7.278
8.200
NH1
NH1
NH2
NH2
O
N
N
NH1
CD
CG
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O3'
OP1
OP1
6usj 3 P68431 96.32 7e-93 EM
2020-10-14 ARG C:53 A:49 110.0 0.489 H -63.4 -39.4 110.0 0.489 0.0 DC
DT
DC
DA
DG
DA
DA
DC
DG
DC
9.839
8.670
6.001
7.328
5.064
3.646
3.911
8.955
6.676
4.776
CD
NH1
NH1
NH1
NH2
CD
CG
N
NH2
NH2
O2
O3'
C4'
OP1
O3'
O3'
OP1
O3'
O3'
OP2
ARG G:53 E:49 110.0 0.489 H -64.1 -39.0 110.0 0.489 0.0 DA
DT
DG
DT
DG
DT
DG
DA
DT
DC
DC
9.824
6.625
3.658
3.794
8.647
6.724
5.316
9.482
8.306
5.607
6.852
NH1
NH2
CD
CG
N
N
NH2
NH1
NH1
NH1
NH1
C2
O3'
O3'
OP1
O3'
OP1
OP2
C2
O3'
C4'
OP1
ARG M:53 K:49 111.0 0.493 H -63.4 -39.3 111.0 0.493 0.0 DC
DT
DC
DA
DG
DA
DA
DC
DG
DC
9.764
8.452
5.854
7.315
5.119
3.647
3.902
8.957
6.690
4.785
CD
NH1
NH1
NH1
NH2
CD
CG
N
NH2
NH2
O2
O3'
C4'
OP1
O3'
O3'
OP1
O3'
O3'
OP2
ARG Q:53 O:49 107.0 0.476 H -63.9 -39.0 107.0 0.476 0.0 DA
DT
DG
DT
DG
DT
DG
DA
DT
DC
DC
9.764
6.609
3.653
3.787
8.640
6.703
5.305
9.478
8.576
5.599
6.706
NH1
NH2
CD
CG
N
N
NH2
NH1
NH1
NH1
NH1
C2
O3'
O3'
OP1
O3'
OP1
OP2
C2
O3'
C4'
OP1
6v2k 1 P68431 96.32 7e-93 X-RAY
2020-11-25 ARG A:53 A:49 105.0 0.467 H -59.9 -44.2 105.0 0.467 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
8.923
7.044
6.304
7.023
9.711
5.383
3.210
3.759
7.635
9.088
6.957
5.204
9.746
CD
CD
CD
NH1
NH1
NH2
NH2
NE
O
N
N
NH2
NH2
O2
O3'
C5'
OP1
O2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
OP2
ARG E:53 E:49 115.0 0.511 H -63.0 -40.5 115.0 0.511 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DC
DA
DT
DT
DG
8.522
5.204
3.252
3.943
8.324
9.045
6.876
5.115
9.925
8.617
7.161
6.117
7.221
NH1
NH1
NH1
NE
O
N
NH2
NH2
NH2
NH1
CD
NH1
NH1
C2
O3'
C5'
OP1
OP1
O3'
C3'
OP2
OP2
C2
O3'
C4'
OP1
6yov 1 P68431 96.32 7e-93 EM
2020-05-06 ARG A:53 A:50 125.0 0.556 H -62.9 -39.9 125.0 0.556 0.0 DT
DC
DC
DT
DG
DA
DT
DG
DG
DT
DG
7.626
5.891
5.748
9.236
7.059
6.208
3.625
2.997
9.775
7.679
8.476
NH2
NH2
NE
NE
NH2
NH2
NH1
NH1
N
N
CD
O2
O3'
C5'
OP2
N2
N3
O3'
OP1
O3'
OP1
OP1
7c0m 1 P68431 96.32 7e-93 EM
2020-09-16 ARG A:53 A:49 134.0 0.596 H -68.8 -28.9 134.0 0.596 0.0 DA
DT
DC
DG
DG
DA
DT
DG
DT
DA
DG
DT
DG
8.375
7.257
5.193
7.552
9.825
9.467
6.420
2.926
3.276
8.591
9.744
7.781
8.022
NH2
NH2
NH2
NH2
NH2
NH2
NH2
NH1
NH1
NH1
N
N
NE
C2
C4'
C4'
OP1
N2
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP1
ARG E:53 E:49 130.0 0.578 H -68.1 -40.9 130.0 0.578 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DC
DT
DG
7.454
6.025
3.977
3.934
9.718
9.808
7.394
5.838
7.637
5.950
7.661
NH1
NH1
NH2
CG
CG
N
N
NH2
CD
NH1
NH1
N2
O3'
OP1
OP1
OP2
O3'
OP1
OP2
O3'
C4'
OP1
ARG L:53 a:49 132.0 0.587 H -68.8 -29.0 132.0 0.587 0.0 DA
DT
DC
DG
DG
DA
DT
DG
DT
DA
DG
DT
DG
8.374
7.257
5.193
7.552
9.825
9.468
6.421
2.927
3.276
8.591
9.744
7.781
8.022
NH2
NH2
NH2
NH2
NH2
NH2
NH2
NH1
NH1
NH1
N
N
NE
C2
C4'
C4'
OP1
N2
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP1
ARG P:53 e:49 128.0 0.569 H -68.1 -40.9 128.0 0.569 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DC
DT
DG
7.454
6.025
3.976
3.934
9.719
9.809
7.394
5.838
7.638
5.949
7.661
NH1
NH1
NH2
CG
CG
N
N
NH2
CD
NH1
NH1
N2
O3'
OP1
OP1
OP2
O3'
OP1
OP2
O3'
C4'
OP1
7d1z 1 P68431 96.32 7e-93 EM
2021-02-10 ARG A:53 A:49 119.0 0.529 H -68.1 -39.7 119.0 0.529 0.0 DA
DT
DC
DG
DA
DT
DG
DT
DA
DG
DT
DG
9.096
7.977
7.122
7.379
9.039
5.479
3.313
4.071
9.780
9.459
6.702
5.186
NH1
NH1
CD
NE
NH1
NH1
NH1
CD
O
NH2
NH2
NH2
C2
O2
C5'
OP1
C2
O3'
C4'
OP1
OP1
O3'
O3'
OP1
ARG E:53 E:49 122.0 0.542 H -62.9 -43.7 122.0 0.542 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DC
DT
DG
8.902
7.411
4.449
3.339
9.442
9.617
7.048
5.530
8.250
6.837
6.995
NH1
NH1
CD
CD
CD
N
NH2
NH2
CD
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
C2'
C4'
OP1
7scy 3 P68431 96.32 7e-93 EM
2022-01-12 ARG C:53 A:49 116.0 0.516 H -59.7 -41.4 116.0 0.516 0.0 DG
DA
DT
DG
DT
DA
DG
DT
DG
DC
DA
DT
DC
DC
9.140
7.902
5.344
2.537
2.647
7.950
7.939
5.462
4.206
9.003
7.850
6.365
4.582
6.153
HH12
HH11
HH12
HD2
HG2
HG3
H
HH22
HH22
HH22
HH11
HD3
HH11
HH12
H21
H2
H4'
O3'
OP1
P
O3'
H3'
OP2
OP2
H2
H4'
H4'
OP1
ARG G:53 E:49 109.0 0.484 H -56.2 -42.1 109.0 0.484 0.0 DT
DC
DT
DC
DA
DG
DA
DA
DT
DC
DC
DG
DC
DG
8.759
6.226
3.968
5.797
9.725
7.055
4.901
2.421
2.746
7.962
8.215
5.649
4.259
9.550
HD2
HD3
HH11
HH12
HH12
HH12
HH22
HD2
HD2
HG3
H
HH22
HH22
HH22
O2
H4'
H5''
H5'
H2
H22
O3'
O3'
OP1
P
O3'
H3'
OP2
OP2
7scz 3 P68431 96.32 7e-93 EM
2022-01-19 ARG C:53 A:49 119.0 0.529 H -61.6 -37.3 119.0 0.529 0.0 DG
DA
DT
DG
DT
DA
DG
DT
DG
DC
DA
DT
DC
DC
9.018
8.004
5.445
2.565
2.825
7.468
7.973
5.400
4.150
8.742
7.522
6.358
4.490
6.331
HH12
HH11
HH12
HD2
HG2
HG3
H
HH22
HH22
HH22
HD2
HD3
HH11
HH12
H21
H2
H4'
H4'
OP1
OP1
O3'
H3'
OP2
OP2
H2
H4'
H4'
OP1
ARG G:53 E:49 120.0 0.533 H -64.8 -41.0 120.0 0.533 0.0 DT
DC
DT
DC
DG
DA
DA
DT
DC
DC
DG
DC
DG
8.558
6.066
4.433
6.475
7.085
5.295
2.658
2.383
7.268
8.166
5.593
4.440
9.333
HH11
HD3
HH11
HH12
HH12
HH22
HD2
HD2
HG3
H
HH22
HH22
HH22
O2
H4'
H5''
H5'
H22
O3'
O3'
H5'
OP1
O3'
H3'
OP2
OP2
1u35 2 P68433 96.32 7e-93 X-RAY
2005-09-27 ARG C:50 A:449 107.0 0.476 H -73.7 -35.0 107.0 0.476 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
DA
9.332
7.136
5.261
6.593
9.251
5.550
3.495
2.815
8.746
8.776
6.558
5.309
9.876
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
N
NH2
NH2
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
OP2
ARG G:50 E:649 107.0 0.476 H -63.5 -57.3 107.0 0.476 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
DA
DT
DT
DG
HOH
9.483
5.241
3.251
2.917
8.894
8.793
6.281
5.027
9.832
8.607
6.924
5.605
6.966
4.849
NH1
NH2
CD
CD
O
N
NH2
NH2
NH2
NH1
NH1
NH1
NH1
C
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP2
C2
O3'
C4'
OP1
O
2cv5 2 P68431 96.32 7e-93 X-RAY
2005-06-28 ARG C:50 A:49 88.0 0.391 H -56.1 -34.4 88.0 0.391 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
HOH
9.093
7.874
5.927
6.886
9.012
5.307
3.326
3.413
8.475
9.006
6.570
4.999
9.968
5.983
CD
NH1
NH1
NH1
NH1
NH2
CD
CG
O
N
NH2
NH2
NH2
NH2
O2
N3
C4'
OP1
O2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
OP2
O
ARG G:50 E:49 109.0 0.484 H -61.5 -43.4 109.0 0.484 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.127
6.164
3.036
3.306
8.094
8.832
6.729
5.844
8.672
6.589
6.331
6.667
2.968
NH2
NH2
CD
CG
CG
N
N
NH2
NH1
NH1
NH2
NH2
O
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
O3'
OP1
O
5c3i 2 P68431 96.32 7e-93 X-RAY
2015-07-29 ARG B:50 B:49 161.0 0.716 H -57.9 -29.8 NA NA NA
ARG F:50 F:49 227.0 1.0 -101.1 141.7 NA NA NA
ARG J:50 NA:NA DO NA DO DO DO NA NA NA
ARG N:50 NA:NA DO NA DO DO DO NA NA NA
ARG R:50 NA:NA DO NA DO DO DO NA NA NA
ARG V:50 NA:NA DO NA DO DO DO NA NA NA
5xf3 1 P68431 96.32 7e-93 X-RAY
2017-10-11 ARG A:50 A:49 114.0 0.507 H -59.6 -45.3 114.0 0.507 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
DA
9.509
7.535
5.696
6.760
9.176
5.475
3.191
2.802
8.806
8.992
6.881
5.199
9.726
NH1
NH1
NH1
NH1
NH1
NH2
CD
CG
CG
N
NH2
NH2
NH2
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP2
ARG E:50 E:49 114.0 0.507 H -62.7 -41.5 114.0 0.507 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
DT
DT
DG
9.965
6.360
3.477
3.183
8.734
8.839
6.706
5.674
9.509
6.769
5.753
7.170
NH2
NH2
NH1
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
N3
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C5'
OP1
5xf4 1 P68431 96.32 7e-93 X-RAY
2017-10-11 ARG A:50 A:49 113.0 0.502 H -60.8 -47.2 113.0 0.502 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
DA
9.593
7.581
5.775
6.570
9.346
5.538
3.268
2.867
8.814
8.923
6.798
5.445
9.854
NH1
NH1
NH1
NH1
NH1
NH2
CD
CG
CG
N
N
NH2
NH2
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
OP2
ARG E:50 E:49 116.0 0.516 H -62.9 -42.9 116.0 0.516 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
DT
DT
DG
9.940
6.308
3.392
3.096
8.810
8.758
6.582
5.709
9.362
6.646
5.545
7.271
NH2
NH2
NH1
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
N3
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C5'
OP1
5xf5 1 P68431 96.32 7e-93 X-RAY
2017-10-11 ARG A:50 A:49 110.0 0.489 H -61.3 -44.1 110.0 0.489 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
9.448
7.236
5.479
6.571
9.170
5.437
3.277
3.070
9.137
8.966
6.766
5.295
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
ARG E:50 E:49 117.0 0.52 H -62.8 -44.0 117.0 0.52 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
DT
DT
DG
9.648
6.297
3.468
2.958
8.890
8.961
6.841
5.889
9.312
6.513
5.347
7.277
NH2
NH2
NH2
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
N3
O3'
C5'
OP1
OP1
O3'
OP1
OP2
C2
O3'
C5'
OP1
6hts 5 P68431 96.32 7e-93 EM
2018-11-07 ARG I:50 I:49 180.0 0.8 H -59.6 -37.1 180.0 0.8 0.0 DT
DG
DT
DA
DT
DT
DT
DA
DT
DA
9.461
5.140
3.069
3.478
7.237
9.667
9.484
8.184
9.530
9.544
NH1
NH2
NH2
NH2
NH2
N
NH1
NH1
NH1
NH2
O3'
O3'
O5'
OP2
C7
OP1
C7
N6
O4
N1
ARG M:50 M:49 115.0 0.511 H -60.9 -44.5 115.0 0.511 0.0 DC
DC
DG
DC
8.194
9.115
6.790
5.630
O
N
N
NH1
OP1
O3'
OP1
OP2
6l9z 1 P68431 96.32 7e-93 X-RAY
2021-02-17 ARG A:50 A:49 124.0 0.551 H -67.8 -41.1 124.0 0.551 0.0 DA
DT
DG
DA
DT
DG
DT
DG
DG
DT
DG
DC
9.548
9.084
7.272
8.117
5.611
3.558
3.639
7.902
8.828
6.456
4.494
9.987
CD
CD
NE
NH2
NH2
NH1
NH1
O
N
NH2
NH2
NH2
C2
C4'
C4'
OP1
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
ARG E:50 E:49 108.0 0.48 H -66.4 -40.4 108.0 0.48 0.0 DG
DC
DA
DT
DC
DC
DG
DC
DG
DC
DG
DT
HOH
8.377
5.616
3.456
3.668
8.463
8.832
6.656
4.697
7.871
8.139
5.667
7.005
7.197
NH1
NH2
NE
CG
CG
N
NH2
NH2
NH1
NH1
NH1
NH1
O
N2
O3'
O3'
OP1
P
O3'
O3'
OP2
N2
O3'
C4'
OP1
O
ARG K:50 K:49 113.0 0.502 H -66.6 -39.5 113.0 0.502 0.0 DG
DC
DA
DT
DC
DG
DC
DG
DC
DG
DT
DT
CA
HOH
6.104
3.799
3.801
8.615
8.934
6.755
4.945
9.686
8.745
7.599
6.463
7.090
4.806
7.304
NH1
NE
CD
O
N
N
NH2
CD
CD
CG
NH1
NH1
CG
O
O3'
O3'
OP1
OP1
O3'
OP1
OP2
N2
O2
O3'
C4'
OP1
CA
O
ARG O:50 O:49 114.0 0.507 H -62.3 -44.7 114.0 0.507 0.0 DA
DT
DG
DA
DA
DT
DG
DT
DG
DG
DT
DG
DC
HOH
9.184
8.471
6.255
7.164
9.581
5.508
3.693
3.656
8.487
8.948
6.785
4.796
9.813
2.623
NH1
NH1
NH1
NH1
NH1
NH2
CD
NE
O
N
N
NH2
NH2
O
C2
O2
C4'
OP1
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
OP2
O
6la2 1 P68431 96.32 7e-93 X-RAY
2021-02-17 ARG A:50 e:49 117.0 0.52 H -56.1 -55.5 117.0 0.52 0.0 DC
DG
DC
DA
DT
DC
DG
DC
DG
DC
DG
DT
DT
9.951
6.448
3.755
3.090
8.485
8.886
6.507
4.864
8.704
8.962
7.467
6.085
7.018
NH1
NH2
NH2
NE
O
N
N
NH2
CD
CD
CG
NH1
NH1
O2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
N2
O2
O3'
C5'
OP1
ARG E:50 i:49 112.0 0.498 H -56.0 -55.3 112.0 0.498 0.0 DA
DT
DG
DA
DA
DT
DG
DT
DG
DG
DT
DG
9.690
8.673
6.042
6.926
9.804
5.502
3.275
3.666
8.427
9.138
7.058
5.319
NH1
CD
NH1
NH1
NH1
NH2
NE
NE
CG
N
N
NH2
C2
C4'
C4'
OP1
C2
O3'
O3'
OP1
P
O3'
OP1
OP2
ARG K:50 A:49 124.0 0.551 H -55.9 -55.5 124.0 0.551 0.0 DG
DC
DA
DT
DC
DC
DG
DC
DG
DC
DG
DT
8.524
5.717
3.711
2.905
9.062
8.987
6.645
6.071
8.938
7.652
6.685
6.480
NH1
NH2
NE
NE
O
N
N
NH2
CD
CD
NH1
NH1
N2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
N2
O3'
C5'
OP1
ARG O:50 E:49 114.0 0.507 H -55.9 -55.5 114.0 0.507 0.0 DA
DT
DG
DA
DA
DT
DG
DT
DG
DG
DT
DG
9.472
8.384
6.009
7.027
9.738
5.655
3.463
3.741
8.277
9.048
6.906
5.228
NH1
CD
NH1
NH1
NH1
NH2
NE
NE
CG
N
N
NH2
C2
C4'
C4'
OP1
C2
O3'
O3'
OP1
P
O3'
OP1
OP2
ARG U:50 K:49 119.0 0.529 H -56.0 -55.2 119.0 0.529 0.0 DG
DC
DA
DT
DC
DG
DC
DG
DG
DC
DG
DT
DT
6.489
3.551
3.999
8.518
8.995
6.363
4.940
9.240
9.190
8.492
7.945
5.993
7.379
NH2
NE
NE
O
N
NH2
NH2
NH2
CD
CD
CG
NH1
NH1
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
N2
O2
C5'
C4'
OP1
ARG Y:50 O:49 114.0 0.507 H -55.9 -55.5 114.0 0.507 0.0 DA
DT
DG
DA
DA
DT
DG
DT
DG
DG
DT
DG
DC
9.595
8.167
6.014
7.395
9.583
5.235
3.334
3.951
8.841
8.944
6.796
5.603
9.998
CD
NH1
NH1
NH1
NH1
NH2
NH2
NE
CG
N
N
NH2
NH2
C2
O3'
C4'
OP1
N3
O3'
C5'
OP1
P
O3'
OP1
OP1
OP2
ARG EA:50 U:49 119.0 0.529 H -56.2 -55.1 119.0 0.529 0.0 DG
DC
DA
DT
DC
DC
DG
DC
DG
DG
DC
DG
DT
7.885
5.443
3.156
4.014
8.519
9.085
6.736
4.971
9.543
7.685
7.728
6.144
7.042
NH1
NH2
NE
NE
O
N
NH2
NH2
NH2
CD
CG
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
N2
O3'
C4'
OP1
ARG IA:50 Y:49 113.0 0.502 H -55.9 -55.4 113.0 0.502 0.0 DA
DT
DG
DA
DA
DT
DG
DT
DG
DG
DT
DG
9.685
8.166
6.052
7.303
9.957
5.843
3.357
3.296
8.562
9.041
6.858
5.699
NH1
NH1
NH1
NH1
NH1
NH2
NE
NE
CG
N
N
NH2
C2
O3'
C4'
OP1
C2
O3'
O3'
OP1
P
O3'
OP1
OP1
6la8 1 P68431 96.32 7e-93 X-RAY
2020-10-07 ARG A:50 A:49 115.0 0.511 H -49.1 -49.1 115.0 0.511 0.0 DA
DT
DG
DA
DA
DT
DG
DT
DG
DG
DT
DG
DC
9.427
7.770
6.046
7.236
8.959
5.661
3.582
3.623
8.406
9.287
6.742
4.750
9.996
NH1
CG
NH1
NH1
NH1
NH2
CD
CD
O
N
NH2
NH2
NH2
C2
O3'
C4'
OP1
C2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
ARG E:50 E:49 113.0 0.502 H -49.1 -49.4 113.0 0.502 0.0 DG
DC
DA
DT
DC
DC
DG
DC
DG
DC
DG
DT
7.863
5.550
3.510
3.530
8.663
9.020
6.782
5.091
8.078
8.208
6.111
7.226
NH1
NH2
CD
CG
CG
N
N
NH2
NH1
NH1
NH1
NH1
N2
O3'
O3'
OP1
P
O3'
OP1
OP2
N2
O3'
C4'
OP1
ARG K:50 K:49 110.0 0.489 H -49.7 -48.7 110.0 0.489 0.0 DA
DT
DG
DA
DA
DT
DG
DT
DG
DG
DT
DG
9.521
7.957
6.070
7.113
9.415
6.450
4.052
2.911
8.506
9.238
6.831
4.966
NH1
NH1
NH1
NH1
NH1
NH1
CZ
NE
O
N
NH2
NH2
C2
C2'
C4'
OP1
C2
O3'
C5'
OP1
OP1
O3'
O3'
OP2
ARG O:50 O:49 116.0 0.516 H -49.6 -48.9 116.0 0.516 0.0 DG
DC
DA
DT
DC
DC
DG
DC
DG
DC
DG
DT
8.189
5.542
3.312
2.771
8.963
9.132
6.833
4.888
8.391
8.024
6.160
5.950
NH1
NH2
CD
CG
CG
N
NH2
NH2
NH1
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP2
O3'
C3'
OP2
N2
O3'
C5'
OP1
6la9 1 P68431 96.32 7e-93 X-RAY
2020-10-07 ARG A:50 A:49 113.0 0.502 H -51.1 -51.5 113.0 0.502 0.0 DA
DT
DG
DA
DA
DT
DG
DT
DG
DG
DT
DG
DC
9.299
7.919
6.104
6.485
9.178
5.411
3.625
4.261
8.558
9.039
6.049
5.110
9.984
CD
NH1
NH1
NH1
NH1
NH2
NH2
CD
O
N
NH2
NH2
NH2
C2
O2
O3'
OP1
C2
O3'
C5'
OP1
OP1
O3'
O3'
OP1
OP2
ARG E:50 E:49 112.0 0.498 H -51.2 -51.3 112.0 0.498 0.0 DG
DC
DA
DT
DC
DC
DG
DC
DG
DG
DC
DG
DT
7.997
5.715
3.698
4.021
8.650
9.158
6.911
5.180
9.826
7.687
7.495
5.428
6.935
NH1
NH2
NH2
CG
CG
N
N
NH2
NH2
NH1
NH1
NH1
NH1
N2
O3'
C5'
OP1
P
O3'
OP1
OP2
OP2
N2
O3'
C5'
OP1
ARG K:50 K:49 123.0 0.547 H -52.3 -50.0 123.0 0.547 0.0 DA
DT
DG
DA
DA
DT
DG
DT
DG
DG
DT
DG
DC
9.027
7.926
6.624
7.601
9.759
6.204
3.713
3.632
8.121
9.121
6.965
5.359
9.759
CD
CD
CG
NH1
NH1
NH1
NH1
NE
O
N
N
NH2
NH2
C2
C1'
C5'
OP1
C2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
OP2
ARG O:50 O:49 104.0 0.462 H -51.8 -50.7 104.0 0.462 0.0 DG
DC
DA
DT
DC
DC
DG
DC
DG
DG
DC
DG
DT
8.443
5.099
3.551
3.113
8.543
9.009
6.677
4.880
9.851
8.599
8.280
6.288
6.640
NH1
NH2
CD
CG
CG
N
NH2
NH2
NH2
NH1
CD
NH1
NH1
N2
O3'
O3'
OP1
OP2
O3'
C3'
OP2
OP2
N2
O3'
O3'
OP1
6lab 1 P68431 96.32 7e-93 X-RAY
2021-02-17 ARG A:50 A:49 133.0 0.591 H -68.0 -50.2 133.0 0.591 0.0 DG
DT
DG
DA
DA
DC
DA
DA
DT
DG
DT
DG
7.267
5.269
4.736
9.045
9.853
5.523
3.000
2.823
8.685
9.332
7.342
5.937
NE
CD
N
CD
NE
NH2
NH2
NE
CG
N
N
NH1
N2
O3'
OP1
OP1
C2
O3'
O3'
OP1
P
O3'
OP1
OP2
ARG E:50 E:49 105.0 0.467 H -73.9 -35.8 105.0 0.467 0.0 DC
DA
DA
DT
DC
DG
DT
DG
DT
DG
DT
DG
9.657
5.730
3.608
3.760
8.350
8.911
6.601
5.317
9.238
7.293
5.286
6.194
NH1
NH2
CD
CG
CG
NH2
NH2
NH2
CD
NH1
NH1
NH1
O2
O3'
O3'
OP1
P
O3'
OP1
OP2
O2
O3'
C4'
OP1
ARG K:50 K:49 115.0 0.511 H -57.9 -49.6 115.0 0.511 0.0 DG
DT
DG
DA
DA
DC
DA
DA
DT
DG
DT
DG
DC
7.867
5.858
6.262
7.573
9.616
6.357
3.383
3.587
8.479
9.202
7.132
5.213
9.749
NH1
CG
NH1
NH1
NH1
NH2
NE
NE
O
N
NH2
NH2
NH2
N2
O3'
C4'
OP1
C2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
ARG O:50 O:49 110.0 0.489 H -66.9 -50.4 110.0 0.489 0.0 DA
DA
DT
DC
DG
DT
DG
DC
DT
DG
DT
DG
5.350
3.240
3.308
8.563
8.920
6.946
5.153
9.996
9.623
7.830
5.812
6.653
NH2
NE
CG
CG
N
N
NH2
NH2
CD
NH1
NH1
NH1
O3'
O3'
OP1
P
O3'
OP1
OP2
OP2
O2
O3'
C5'
OP1
6ler 1 P68431 96.32 7e-93 X-RAY
2021-03-03 ARG A:50 K:49 116.0 0.516 H -56.7 -50.9 NA NA NA
ARG E:50 O:49 118.0 0.524 H -57.3 -43.7 NA NA NA
ARG K:50 A:49 113.0 0.502 H -65.2 -49.3 113.0 0.502 0.0 DA
DT
DG
DC
DA
DT
DG
DT
DG
DG
DT
DG
DC
8.952
7.564
5.538
5.133
8.767
5.380
3.242
3.390
9.628
8.976
6.570
4.972
9.556
CD
NH1
NH1
NH1
NH1
NH2
CD
CD
CD
NH2
NH2
NH2
NH2
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
P
O3'
O3'
OP2
OP2
ARG O:50 E:49 109.0 0.484 H -55.2 -53.9 109.0 0.484 0.0 DG
DC
DA
DT
DC
DC
DG
DC
DG
DC
DT
DG
HOH
8.077
5.790
3.368
3.381
8.349
9.056
6.765
4.859
7.879
7.737
5.873
6.910
8.775
NH1
NH2
NE
CG
CG
N
NH2
NH2
NH1
CD
NH1
NH1
O
N2
O3'
O3'
OP1
P
O3'
O3'
OP2
N2
O3'
C4'
OP1
O
6m3v 1 P68431 96.32 7e-93 X-RAY
2020-10-07 ARG A:50 A:49 122.0 0.542 H -54.9 -58.3 122.0 0.542 0.0 DG
DC
DA
DT
DC
DC
DG
DC
DG
DG
DC
DG
DA
8.125
5.883
3.513
4.295
8.909
8.981
6.707
5.042
9.385
8.387
8.634
6.570
7.505
NH1
NH2
NE
CG
O
N
N
NH2
NH2
NH1
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
OP2
N2
O2
C4'
OP1
ARG E:50 E:49 122.0 0.542 H -54.9 -58.2 122.0 0.542 0.0 DT
DG
DA
DA
DT
DG
DT
DG
DG
DT
DG
DC
7.713
7.187
6.575
9.565
5.792
3.833
3.821
8.220
9.196
7.100
5.743
9.646
CG
NH1
NH1
NH1
NH1
NE
NE
O
NH2
NH1
NH1
NH2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP1
OP2
ARG K:50 K:49 119.0 0.529 H -56.0 -57.5 119.0 0.529 0.0 DA
DT
DG
DA
DA
DT
DG
DT
DG
DT
DG
9.241
7.626
6.527
5.943
6.673
3.939
2.875
6.504
9.025
6.320
4.973
CD
CG
CG
NH1
NH2
NE
NE
CD
N
NH2
NH2
C2
O3'
O5'
OP1
O3'
O3'
OP1
OP1
O3'
O3'
OP2
ARG O:50 O:49 124.0 0.551 H -54.6 -58.2 124.0 0.551 0.0 DG
DC
DA
DT
DC
DG
DC
DG
DC
DG
DT
8.357
5.884
3.401
3.423
9.244
7.118
5.353
8.841
8.438
6.500
7.339
NH1
NH2
CD
CG
N
N
NH2
CD
CD
NH1
NH1
N2
O3'
O3'
OP1
O3'
OP1
OP2
N2
O3'
C4'
C5'
6m44 1 P68431 96.32 7e-93 X-RAY
2020-10-07 ARG A:50 A:49 115.0 0.511 H -62.9 -52.6 115.0 0.511 0.0 DG
DC
DA
DT
DC
DC
DG
DC
DG
DC
DG
DA
8.121
5.946
3.657
3.759
8.647
8.984
7.102
5.654
8.083
8.080
6.260
7.060
NH1
NH2
NE
NE
CG
N
N
NH2
NH1
CD
NH1
NH1
N2
O3'
O3'
OP1
P
O3'
OP1
OP2
N2
C4'
C4'
OP1
ARG E:50 E:49 117.0 0.52 H -62.4 -52.9 117.0 0.52 0.0 DA
DT
DG
DA
DA
DT
DG
DT
DG
DG
DT
DG
9.367
7.598
6.632
6.051
9.349
5.424
3.160
3.857
7.993
9.342
7.031
5.585
CD
NH1
NH1
NH1
NH1
NH2
NH2
CD
O
N
N
NH2
C2
O2
C5'
OP1
C2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
ARG K:50 K:49 117.0 0.52 H -63.1 -52.6 117.0 0.52 0.0 DA
DT
DG
DA
DC
DA
DT
DG
DT
DG
DT
DG
9.042
7.278
6.647
5.949
9.671
6.008
3.434
3.804
7.122
8.837
6.672
5.097
CD
NH1
NH1
NH1
NH1
NH2
NH2
NE
CD
N
N
NH2
C2
O2
C4'
OP1
O2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
ARG O:50 O:49 115.0 0.511 H -63.4 -52.5 115.0 0.511 0.0 DG
DC
DA
DT
DC
DC
DG
DC
DG
DG
DC
DG
DT
8.471
5.714
2.997
3.092
8.777
9.280
7.005
5.186
9.927
8.643
8.801
6.478
7.066
NH1
NH1
CD
CG
CG
N
N
NH2
NH2
CD
CD
NH1
NH1
N2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
OP2
N2
O3'
C4'
OP1
6m4d 1 P68431 96.32 7e-93 EM
2020-09-23 ARG A:50 NA:NA DO NA DO DO DO NA NA NA
ARG E:50 NA:NA DO NA DO DO DO NA NA NA
6m4g 3 P68431 96.32 7e-93 EM
2020-09-23 ARG C:50 NA:NA DO NA DO DO DO NA NA NA
ARG F:50 NA:NA DO NA DO DO DO NA NA NA
6m4h 3 P68431 96.32 7e-93 EM
2020-09-23 ARG C:50 NA:NA DO NA DO DO DO NA NA NA
ARG G:50 NA:NA DO NA DO DO DO NA NA NA
6upk 1 P68431 96.32 7e-93 EM
2019-12-11 ARG A:50 NA:NA DO NA DO DO DO NA NA NA
ARG E:50 E:49 99.0 0.44 H -64.8 -33.2 50.0 0.222 0.218 G:None:0.218
DC
DG
DC
7.642
5.258
6.537
NH2
NH2
NH2
O3'
OP1
OP2
6upl 1 P68431 96.32 7e-93 EM
2019-12-11 ARG A:50 A:49 114.0 0.507 H -65.9 -34.4 114.0 0.507 0.0 DT
DG
8.346
8.047
NH2
NH2
OP1
OP1
ARG E:50 E:49 169.0 0.751 H -59.5 -36.1 79.0 0.351 0.4 I:None:0.4
DC
DG
9.536
7.615
N
N
O3'
OP1
6v92 23 P68431 96.32 7e-93 EM
2020-01-15 ARG BA:50 a:49 89.0 0.396 H -56.1 -34.4 89.0 0.396 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
9.093
7.875
5.928
6.887
9.013
5.307
3.327
3.412
8.475
9.006
6.570
4.999
9.969
CD
NH1
NH1
NH1
NH1
NH2
CD
CG
O
N
NH2
NH2
NH2
O2
N3
C4'
OP1
O2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
OP2
ARG FA:50 e:49 109.0 0.484 H -61.5 -43.4 109.0 0.484 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
9.126
6.163
3.035
3.307
8.094
8.832
6.730
5.844
8.672
6.589
6.331
6.666
NH2
NH2
CD
CG
CG
N
N
NH2
NH1
NH1
NH2
NH2
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
O3'
OP1
7dbp 2 P68431 96.32 7e-93 EM
2020-12-23 ARG B:50 A:49 130.0 0.578 H -64.8 -42.7 130.0 0.578 0.0 DC
DA
DT
DC
DT
DG
DT
DA
DT
DT
DG
DC
9.463
6.890
6.381
8.817
9.462
6.096
3.548
4.956
8.987
9.745
7.408
6.318
NH1
CD
CD
CZ
NH1
NH1
NH1
CB
O
NH2
NH2
NH2
O2
O3'
C5'
OP1
O2
O3'
C4'
OP1
OP2
O3'
OP1
OP1
ARG F:50 E:49 132.0 0.587 H -64.7 -42.7 132.0 0.587 0.0 DA
DG
DA
DA
DT
DC
DG
DC
DT
DC
DC
9.741
5.832
3.308
4.194
8.620
7.654
6.226
9.173
7.308
6.227
8.167
NH1
NH1
NH1
CB
O
NH2
NH2
NH1
CD
CD
CZ
N3
O3'
C4'
OP1
OP2
O3'
OP1
O2
O3'
C5'
OP1
7k5x 1 P68431 96.32 7e-93 EM
2020-11-25 ARG A:50 A:49 77.0 0.342 H -65.0 -38.6 77.0 0.342 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
8.068
5.611
3.517
3.842
9.334
9.258
6.665
5.095
9.676
7.684
5.917
7.110
NH1
NH2
CD
CD
O
NH2
NH2
NH2
CD
CD
NH1
NH1
N2
O3'
O3'
OP1
OP2
O3'
C3'
OP2
O2
O3'
C4'
OP1
ARG E:50 E:49 110.0 0.489 H -61.7 -40.0 110.0 0.489 0.0 DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
7.623
6.361
7.519
9.983
5.536
3.710
4.047
9.500
9.176
6.840
5.423
CD
CD
NH1
NH1
NH2
NH2
NE
O
N
NH1
NH1
O3'
C5'
OP1
N3
O3'
C5'
OP1
OP2
O3'
O3'
OP2
7k5y 1 P68431 96.32 7e-93 EM
2020-11-25 ARG A:50 A:49 98.0 0.436 H -62.1 -41.0 98.0 0.436 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
9.506
5.425
3.309
3.201
8.361
9.184
6.788
5.378
9.934
7.319
5.774
7.951
NH1
NH2
NH2
NE
O
NH1
NH1
NH1
CD
CD
CD
NH1
N2
O3'
C5'
OP1
OP2
O3'
C3'
OP2
O2
O3'
C5'
OP1
ARG E:50 E:49 116.0 0.516 H -69.1 -34.0 116.0 0.516 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
9.894
8.104
6.263
7.638
9.893
6.377
3.143
3.324
8.225
9.089
6.761
5.057
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
NH2
NH2
NH2
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
P
O3'
O3'
OP2
7k60 1 P68431 96.32 7e-93 EM
2020-11-25 ARG A:50 A:49 108.0 0.48 H -59.7 -45.4 108.0 0.48 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DC
DT
DC
9.035
5.379
3.740
4.126
9.550
9.369
6.535
5.117
7.994
6.670
8.010
NH1
NH2
NH2
CG
O
N
NH1
NH1
CG
CD
NH1
N2
O3'
OP1
OP1
OP1
O3'
O3'
OP2
O3'
C5'
OP1
ARG E:50 E:49 132.0 0.587 H -60.7 -42.4 132.0 0.587 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
9.879
8.129
6.748
7.387
9.550
5.297
3.839
4.243
9.457
9.385
6.585
5.331
CD
CG
CD
NH1
NH1
NH2
NH2
NE
O
N
NH1
NH1
C2
O3'
C5'
OP1
N3
O3'
C5'
OP1
OP2
O3'
O3'
OP1
7k61 1 P68431 96.32 7e-93 EM
2020-11-25 ARG A:50 A:49 114.0 0.507 H -63.2 -43.2 114.0 0.507 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DG
DT
DC
DT
DC
8.107
5.321
3.417
3.324
9.064
9.311
6.511
4.585
9.400
9.738
7.962
6.323
7.516
NH1
NH2
CD
CG
CG
N
NH2
NH2
NH2
CD
CD
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
OP2
O2
O3'
C4'
OP1
ARG E:50 E:49 104.0 0.462 H -53.5 -46.0 104.0 0.462 0.0 DA
DT
DC
DC
DG
DA
DT
DG
DT
DA
DG
DT
DG
8.628
6.844
4.813
6.687
9.781
8.391
5.907
3.472
3.193
8.829
8.854
6.749
5.557
NH2
NH2
NH2
NH2
NH2
NH2
NH2
CD
CD
O
NH1
NH1
NH1
C2
O3'
C4'
OP1
N2
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
7k63 1 P68431 96.32 7e-93 EM
2020-11-25 ARG A:50 A:49 94.0 0.418 H -63.2 -41.5 94.0 0.418 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DG
DT
DC
DT
DC
8.319
5.460
3.934
3.957
9.329
9.129
6.492
4.691
9.790
9.635
7.710
6.002
6.892
NH1
NH2
CD
CD
O
N
NH2
NH2
NH2
CD
CD
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
O2
O3'
C4'
OP1
ARG E:50 E:49 121.0 0.538 H -59.8 -39.5 121.0 0.538 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
9.654
7.598
6.374
7.808
9.796
5.301
3.349
3.619
9.045
9.056
6.642
5.322
CD
CG
CD
CD
NH1
NH2
NH2
NE
O
N
NH1
NH1
C2
O3'
C5'
OP1
N3
O3'
C5'
OP1
OP1
O3'
O3'
OP1
7nl0 1 P68431 96.32 7e-93 EM
2021-08-11 ARG A:50 A:49 96.0 0.427 H -62.8 -44.7 96.0 0.427 0.0 DG
DC
DT
DT
DG
DC
DT
DT
DG
DT
DT
DA
7.971
8.286
7.201
6.728
9.065
5.340
3.363
4.122
8.088
9.356
6.237
4.988
NE
CG
NE
NH2
NE
NH2
CD
CD
O
NH2
NH2
NH2
N2
O3'
C5'
OP1
N2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
ARG E:50 E:49 122.0 0.542 H -61.7 -43.8 122.0 0.542 0.0 DA
DG
DG
9.835
7.635
5.712
N
N
NH2
O3'
OP1
OP1
7v6q 2 P68431 96.32 7e-93 X-RAY
2021-12-29 ARG B:50 B:49 193.0 0.858 T -68.5 -16.8 143.0 0.636 0.222 C:P62805:0.222
1PE
6.368
NH1
C24
ARG F:50 F:49 191.0 0.849 T -70.2 -13.0 NA NA NA
2io5 2 P84233 97.04 8e-93 X-RAY
2007-02-27 ARG B:49 NA:NA DO NA DO DO DO NA NA NA
2nqb 2 P02299 97.04 8e-93 X-RAY
2007-09-11 ARG C:49 A:449 109.0 0.484 H -67.0 -38.1 109.0 0.484 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
HOH
9.413
6.803
5.470
7.038
9.492
5.805
3.435
3.100
9.138
8.895
6.759
5.496
3.805
NH1
NH1
NH1
NH2
NH2
NH2
CD
CD
CD
N
N
NH2
CG
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
O
ARG G:49 E:649 116.0 0.516 H -61.7 -35.3 116.0 0.516 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.277
5.469
3.316
2.990
8.960
9.039
6.910
5.406
9.442
7.683
6.179
6.560
2.706
NH2
NH1
CD
CG
CG
N
N
NH1
NH2
NH2
NH2
NH2
O
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
O3'
OP1
O
2pyo 3 P02299 97.04 8e-93 X-RAY
2007-11-06 ARG C:49 A:49 98.0 0.436 H -65.3 -42.0 98.0 0.436 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DG
DA
DA
DC
HOH
9.809
7.809
5.841
6.621
9.231
5.393
2.972
2.958
9.063
8.706
6.451
4.621
9.448
7.135
NH1
NH1
NH1
NH1
NH1
NH2
CD
CG
CG
N
NH2
NH2
NH2
O
C2
O3'
C4'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP2
O
ARG G:49 E:49 110.0 0.489 H -66.4 -37.3 110.0 0.489 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.080
5.564
3.315
3.087
8.920
9.051
6.895
5.279
9.564
7.599
5.657
6.806
2.725
NH2
NH1
NE
CG
CG
N
N
NH1
NH2
NH2
NH2
NH2
O
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C4'
OP1
O
3c9k 3 P84229 97.04 8e-93 EM
2009-01-06 ARG C:49 C:49 149.0 0.662 H -58.2 -33.9 149.0 0.662 0.0
ARG G:49 G:49 149.0 0.662 H -58.2 -33.9 149.0 0.662 0.0
4qlc 3 P02299 97.04 8e-93 X-RAY
2015-07-22 ARG C:49 A:49 109.0 0.484 H -60.1 -38.3 109.0 0.484 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
9.514
6.077
4.352
6.437
8.705
5.506
3.439
3.181
9.135
9.074
6.890
6.211
NH2
NH2
NH2
NH2
NH2
NH1
NH1
CD
CG
N
N
NH1
C2
O3'
C5'
OP1
C2
O3'
C5'
OP1
OP2
O3'
OP1
OP2
ARG G:49 E:49 110.0 0.489 H -63.7 -40.5 110.0 0.489 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DG
DT
DC
DT
DC
8.705
5.636
3.476
3.076
8.653
9.207
6.553
4.779
9.560
9.493
8.096
6.104
7.449
NH1
NH1
CD
CG
O
NH2
NH2
NH2
NH2
NH1
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
O2
O3'
C4'
OP1
5x0y 1 P84233 97.04 8e-93 EM
2017-04-19 ARG A:49 A:49 111.0 0.493 H -51.2 -41.2 111.0 0.493 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DC
DT
DC
9.312
7.331
3.824
3.248
9.012
8.450
6.177
4.581
7.651
6.779
7.219
NH1
NH2
CD
CD
CG
NH2
NH2
NH2
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O3'
OP1
OP1
ARG E:49 E:49 112.0 0.498 H -51.1 -41.2 112.0 0.498 0.0 DT
DC
DC
DT
DG
DT
DG
DT
DG
9.022
6.930
6.375
6.656
4.204
4.923
9.007
6.565
5.351
CD
NH1
NH1
CD
CD
CG
NH2
NH2
NH2
O3'
O3'
OP1
O3'
C5'
OP2
O3'
OP1
OP2
6fml 9 Q71DI3 97.04 8e-93 EM
2018-04-25 ARG M:49 M:49 134.0 0.596 H -61.9 -38.9 134.0 0.596 0.0 DG
DT
DG
9.332
7.123
5.933
N
N
NH1
O3'
OP1
OP2
ARG Q:49 Q:49 113.0 0.502 H -65.0 -32.7 113.0 0.502 0.0 DC
DT
DC
DG
DA
DA
DT
DC
DC
DG
DC
6.786
5.246
6.923
8.266
6.158
3.847
3.071
8.315
9.506
7.284
6.217
NH2
NH2
NH2
NH2
NH1
NE
NE
CD
N
N
NH1
O3'
C5'
OP1
N2
O3'
O3'
OP1
P
O3'
OP1
OP2
7eg6 2 P84233 97.04 8e-93 EM
2022-01-12 ARG B:49 A:49 105.0 0.467 H -69.1 -35.8 105.0 0.467 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
7.649
5.352
3.349
4.389
9.101
9.351
6.680
5.310
9.032
7.141
6.063
7.726
NH1
NH1
NH1
CD
O
NH2
NH2
NH2
NH1
CD
NH1
NH2
N2
O3'
C5'
OP1
OP1
O3'
O3'
OP2
O2
O3'
C4'
OP1
ARG F:49 E:49 116.0 0.516 H -66.6 -38.4 116.0 0.516 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
8.781
7.341
6.105
7.841
8.780
5.557
3.652
3.747
8.786
9.366
7.386
5.673
NH1
NH1
NH1
NH1
NH1
NH2
NH2
CG
CG
N
N
NH2
C2
O2
C4'
OP1
C2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
7egp 11 P84233 97.04 8e-93 EM
2022-01-12 ARG L:49 O:49 125.0 0.556 H -61.2 -37.1 125.0 0.556 0.0 DT
DC
DC
DT
DG
DT
DA
DG
DT
DG
9.224
6.715
6.524
7.747
5.223
4.362
8.251
9.176
6.804
7.239
CD
NH1
NH2
NH1
NH1
CD
CG
NH2
NH2
NH2
C5'
C4'
OP1
O3'
C5'
OP1
OP1
O3'
OP1
OP2
ARG P:49 S:49 156.0 0.693 H -67.3 -34.1 156.0 0.693 0.0 DG
DA
DA
DT
DC
DG
DC
DT
DC
DT
DC
9.303
6.170
2.886
2.847
7.259
9.027
7.978
9.367
6.764
5.973
7.231
NH1
NH2
NE
NE
CG
NH1
NH2
CD
CD
NH1
NH1
N2
O3'
O3'
OP1
OP1
OP1
OP2
O2
O3'
C5'
OP1
7enn 2 P84233 97.04 8e-93 EM
2021-07-14 ARG B:49 A:49 99.0 0.44 H -61.0 -43.2 99.0 0.44 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
8.336
5.342
3.819
3.320
9.111
9.696
7.077
5.368
9.687
7.837
6.022
7.122
NH1
NH2
CD
CG
CG
N
NH2
NH2
NH1
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
O2
O3'
C4'
OP1
ARG F:49 E:49 108.0 0.48 H -62.8 -40.4 108.0 0.48 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
9.112
7.741
6.366
8.075
9.262
5.332
3.321
4.117
9.118
9.522
7.135
5.286
NH1
CD
CD
NH1
NH1
NH1
NH1
CD
O
NH2
NH2
NH2
C2
O3'
C5'
OP1
C2
O3'
C5'
OP1
OP1
O3'
O3'
OP2
7lya 1 P68431 96.32 2e-92 EM
2021-07-28 ARG A:54 A:49 107.0 0.476 H -60.6 -41.7 107.0 0.476 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
9.217
7.314
5.467
6.873
9.259
5.678
3.760
3.272
9.102
9.493
7.264
5.796
NH2
NH2
NH2
NH2
NH2
NH1
NH1
CD
O
N
N
NH1
C2
O3'
C5'
OP1
C2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
ARG D:54 E:49 107.0 0.476 H -60.5 -41.6 107.0 0.476 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
8.663
5.641
3.907
3.363
9.255
9.674
7.282
5.813
9.508
7.228
5.272
6.846
NH2
NH1
NH1
CD
O
N
N
NH1
NH2
NH2
NH2
NH2
N2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
O2
O3'
C5'
OP1
7lyb 1 P68431 96.32 2e-92 EM
2021-07-28 ARG A:54 A:49 115.0 0.511 H -60.1 -40.5 115.0 0.511 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
9.204
7.496
5.471
7.350
9.097
5.660
3.475
3.370
9.163
9.521
7.331
6.164
NH2
NH2
NH2
NH2
NH2
NH1
NH1
CD
O
N
N
NH1
C2
O3'
C4'
OP1
C2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
ARG D:54 E:49 119.0 0.529 H -60.0 -40.6 119.0 0.529 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
8.825
5.635
3.524
3.355
9.295
9.718
7.274
5.903
9.850
7.701
5.810
6.802
NH2
NH1
NH1
CD
CG
N
N
NH1
NH2
NH2
NH2
NH2
N2
O3'
C5'
OP1
OP2
O3'
OP1
OP2
O2
O2
C4'
OP1
7lyc 1 P68431 96.32 2e-92 EM
2021-06-16 ARG A:54 A:49 100.0 0.444 H -57.7 -47.4 100.0 0.444 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
8.798
6.465
4.907
6.997
8.641
6.335
3.538
3.128
9.788
9.126
6.899
6.443
NH2
NH2
NH2
NH2
NH2
NH2
NE
CD
CG
N
NH1
NH1
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
ARG D:54 E:49 97.0 0.431 H -55.7 -45.3 97.0 0.431 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
7.958
6.511
3.411
2.954
9.673
9.248
7.050
6.069
8.990
6.346
4.850
6.962
NH2
NH2
NE
CD
O
NH1
N
NH1
NH2
NH2
NH2
NH2
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O2
O2
C5'
OP1
6t79 1 Q71DI3 96.32 2e-92 EM
2020-04-29 ARG A:50 A:49 111.0 0.493 H -64.7 -43.5 111.0 0.493 0.0 DA
DC
DA
DC
DG
DT
DG
DC
DT
DA
DC
DA
9.434
8.271
5.712
7.032
8.776
6.022
3.895
4.216
9.077
8.983
6.740
5.160
NH1
NH1
NH1
NH1
NH1
NH2
CZ
CG
CG
N
N
NH2
C2
O3'
C4'
OP1
N2
O3'
C5'
OP1
P
O3'
OP1
OP2
ARG E:50 E:49 118.0 0.524 H -66.6 -35.3 118.0 0.524 0.0 DT
DA
DC
DA
DC
DT
DA
DT
DG
DT
DA
DG
DA
9.710
5.493
4.088
3.711
8.459
9.658
7.148
5.577
9.716
9.073
7.726
5.667
7.279
NH1
NH2
NE
CD
CG
N
NH2
NH2
CD
NH1
NH1
NH1
NH1
O2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
N2
O2
O3'
C5'
OP1
6t7a 1 Q71DI3 96.32 2e-92 EM
2020-04-29 ARG A:50 A:49 123.0 0.547 H -65.2 -36.2 123.0 0.547 0.0 DA
DC
DA
9.632
7.413
5.795
NH2
NH2
NH2
O3'
O3'
OP2
ARG E:50 E:49 114.0 0.507 H -64.4 -36.1 114.0 0.507 0.0 DT
DA
DT
9.524
7.150
6.158
N
N
NH2
O3'
OP1
OP2
6t7b 1 Q71DI3 96.32 2e-92 EM
2020-04-29 ARG A:50 A:49 57.0 NA H -65.0 -36.2 57.0 NA NA DA
DC
9.917
7.665
N
N
O3'
OP1
ARG E:50 E:49 55.0 NA H -64.3 -36.1 55.0 NA NA DT
DA
9.525
7.150
N
N
O3'
OP1
6t7c 1 Q71DI3 96.32 2e-92 EM
2020-04-29 ARG A:50 A:49 124.0 0.551 H -64.9 -36.2 124.0 0.551 0.0 DA
DC
DA
9.653
7.434
5.890
NH2
NH2
NH2
O3'
O3'
OP2
ARG E:50 E:49 113.0 0.502 H -64.0 -36.3 113.0 0.502 0.0 DT
DA
DT
9.555
7.164
6.252
N
N
NH2
O3'
OP1
OP2
6t7d 1 Q71DI3 96.32 2e-92 EM
2020-04-29 ARG A:50 A:49 52.0 NA H -62.9 -45.3 52.0 NA NA DA
DC
9.694
7.443
N
N
O3'
OP1
ARG E:50 E:49 51.0 NA H -65.9 -34.2 51.0 NA NA DC
DA
DC
DA
DA
DG
6.899
4.937
8.920
8.012
9.515
8.104
CA
O
O
N
N
N
O3'
OP1
OP1
OP1
O3'
OP1
3azf 1 P68431 95.59 2e-92 X-RAY
2011-09-21 ARG A:53 A:49 103.0 0.458 H -61.0 -44.3 103.0 0.458 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
HOH
9.699
7.854
5.836
6.704
8.891
4.979
3.139
3.044
9.788
8.875
6.630
4.916
9.252
3.454
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH2
N
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP2
O3'
C3'
OP2
OP2
O
ARG E:53 E:49 114.0 0.507 H -64.6 -38.1 114.0 0.507 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.322
5.462
3.257
2.900
8.263
8.859
6.648
5.479
8.737
6.530
6.052
7.030
2.913
NH2
NH2
NH1
CD
O
N
N
NH2
NH1
NH1
NH1
NH2
O
N3
O3'
O3'
OP2
OP2
O3'
OP1
OP2
C2
O3'
C4'
OP1
O
3aze 1 P68431 95.59 2e-92 X-RAY
2011-09-21 ARG A:53 A:49 103.0 0.458 H -52.6 -47.0 103.0 0.458 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
8.244
7.475
6.122
6.246
9.066
5.782
3.009
2.695
8.881
8.727
6.387
5.447
9.654
NH1
NH1
NH1
NH2
NH2
NH2
CD
CG
O
N
NH2
NH2
NH2
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
ARG E:53 E:49 100.0 0.444 H -63.8 -52.1 100.0 0.444 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
9.738
5.235
3.342
2.814
8.239
8.283
6.601
5.192
8.854
7.505
6.508
7.681
NH1
NH2
NH2
CG
O
N
NH2
NH2
NH1
NH1
NH1
NH2
C2
O3'
OP1
OP1
OP2
O3'
O3'
OP2
C2
O3'
C4'
OP1
3azh 1 P68431 95.59 2e-92 X-RAY
2011-09-21 ARG A:53 A:49 113.0 0.502 H -63.7 -52.7 113.0 0.502 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
9.401
6.970
5.035
6.584
9.340
5.588
3.141
3.096
9.762
8.829
6.767
5.047
9.674
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
N
NH2
NH2
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
P
O3'
OP1
OP2
OP2
ARG E:53 E:49 107.0 0.476 H -51.0 -40.5 107.0 0.476 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
9.278
5.775
3.357
2.778
8.009
8.845
6.783
5.506
9.099
6.540
5.860
7.277
NH2
NH2
CD
CD
O
N
N
NH2
NH1
NH1
NH1
NH2
C2
O3'
O3'
OP2
OP2
O3'
OP1
OP1
C2
O3'
C4'
OP1
3azg 1 P68431 95.59 2e-92 X-RAY
2011-09-21 ARG A:53 A:49 99.0 0.44 H -61.9 -44.2 99.0 0.44 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
HOH
9.739
7.394
6.267
6.494
8.781
5.117
3.237
2.747
9.593
8.934
6.838
5.157
9.396
6.982
CD
CD
NH1
NH1
NH1
NH2
CD
CG
CG
N
NH2
NH2
NH2
O
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP2
O3'
C3'
OP2
OP2
O
ARG E:53 E:49 120.0 0.533 H -64.5 -34.9 120.0 0.533 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.296
5.645
3.242
3.391
9.170
8.917
6.869
5.217
9.657
7.277
6.390
6.814
7.045
NH1
NH2
CD
NE
CD
N
N
NH2
NH1
CD
NH1
NH1
O
C2
O3'
O3'
OP2
P
O3'
OP1
OP2
C2
O3'
C4'
OP1
O
3ayw 1 P68431 95.59 2e-92 X-RAY
2011-09-21 ARG A:53 A:49 106.0 0.471 H -64.8 -43.7 106.0 0.471 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
9.780
7.874
6.553
7.047
8.898
5.435
3.284
2.947
9.315
9.015
6.330
4.571
9.625
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH2
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP2
ARG E:53 E:49 117.0 0.52 H -62.5 -47.4 117.0 0.52 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
9.164
5.856
3.419
3.136
9.513
8.584
6.139
4.428
9.317
7.563
6.615
7.619
NH1
NH2
NH1
CD
CG
N
NH2
NH2
NH1
NH1
NH1
NH1
C2
O3'
C4'
OP1
OP2
O3'
C3'
OP2
C2
O3'
C4'
OP1
5b40 1 Q71DI3 96.32 2e-92 X-RAY
2016-06-22 ARG A:53 A:49 184.0 0.818 H -81.8 -13.8 184.0 0.818 0.0 DG
DA
DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
9.298
7.736
5.740
5.510
5.644
7.666
8.904
5.951
2.850
3.144
6.490
8.857
6.686
9.471
NH2
NH2
NH2
NH1
NH1
NH1
NH1
NH1
NE
NH2
NH2
N
N
CD
N2
C2
O2
O3'
OP1
OP1
O2
N3
O3'
O5'
P
O3'
OP1
OP2
ARG E:53 E:49 165.0 0.733 H -85.2 -2.3 165.0 0.733 0.0 DT
DA
DT
DC
DG
DA
DA
DT
DA
DT
DT
DG
9.726
5.918
4.958
6.082
9.190
7.029
9.950
9.928
6.314
4.927
3.789
9.505
CG
CB
CB
NE
N
N
CB
NH2
NH2
NH2
NH1
CG
O2
O3'
OP1
OP1
O3'
OP1
OP2
O2
O3'
C4'
OP1
OP1
6nzo 1 A0A310TTQ1 95.59 4e-92 EM
2019-08-28 ARG A:50 A:49 117.0 0.52 H -64.8 -37.2 117.0 0.52 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
8.751
6.301
2.863
3.690
8.142
9.151
6.814
5.067
9.304
6.513
5.479
7.785
CD
NH1
NH1
NH1
O
NH2
NH2
NH2
CD
CD
CD
NE
N2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
O2
O3'
C5'
OP1
ARG E:50 E:49 142.0 0.631 H -63.1 -40.9 32.0 0.142 0.489 K:G0S676:0.489
DG
DT
DG
8.968
6.706
8.015
N
N
CD
O3'
OP1
OP2
6px1 1 A0A310TTQ1 95.59 4e-92 EM
2019-08-28 ARG A:50 A:49 97.0 0.431 H -60.8 -42.5 97.0 0.431 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DG
DT
DC
DT
DC
8.110
5.212
3.387
3.324
8.795
9.492
6.556
4.611
9.671
9.605
8.128
6.606
7.556
NH1
NH2
CD
CG
O
NH2
NH2
NH2
NH2
CD
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
OP2
O2
O2
C4'
OP1
ARG E:50 E:49 97.0 0.431 H -62.7 -39.9 97.0 0.431 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
DC
9.386
8.268
6.465
7.735
9.390
5.399
3.456
3.277
8.771
9.116
6.658
4.668
9.929
NH1
NH1
NH1
NH1
NH1
NH2
CD
CG
O
N
NH2
NH2
NH2
C2
O2
C4'
OP1
C2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
6px3 1 A0A310TTQ1 95.59 4e-92 EM
2019-08-28 ARG A:50 A:49 117.0 0.52 H -64.8 -37.2 117.0 0.52 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
8.751
6.301
2.863
3.689
8.142
9.151
6.814
5.067
9.303
6.514
5.479
7.785
CD
NH1
NH1
NH1
O
NH2
NH2
NH2
CD
CD
CD
NE
N2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
O2
O3'
C5'
OP1
ARG E:50 E:49 141.0 0.627 H -63.1 -40.9 32.0 0.142 0.485 K:G0S676:0.484
DG
DT
DG
8.968
6.706
8.015
N
N
CD
O3'
OP1
OP2
7mbm 5 A0A310TTQ1 95.59 4e-92 EM
2021-12-29 ARG E:50 G:49 138.0 0.613 H -74.9 -24.1 138.0 0.613 0.0 DT
DG
DT
DA
DG
DT
DG
DA
DT
DC
DC
7.114
4.349
4.945
9.858
9.930
7.641
6.310
9.510
8.055
7.466
9.557
NH2
NH1
NH1
O
NE
NE
NH2
NH1
NH1
NH1
CZ
O3'
O3'
OP1
OP1
O3'
OP2
OP2
C2
O4'
C5'
OP1
ARG I:50 K:49 136.0 0.604 H -74.9 -24.0 136.0 0.604 0.0 DC
DT
DC
DG
DA
DA
DT
DG
DC
8.992
7.912
9.221
9.046
5.696
3.681
4.025
7.104
5.444
NH1
NH1
CZ
NH1
NH1
NH1
NH1
NH2
NH2
O3'
C4'
OP1
N2
O3'
O3'
OP1
O3'
OP2
7mbn 5 A0A310TTQ1 95.59 4e-92 EM
2021-12-29 ARG E:50 G:49 114.0 0.507 H -62.2 -34.0 114.0 0.507 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
8.356
5.226
2.650
3.384
8.233
8.362
6.340
5.118
9.392
7.699
6.016
7.061
NH1
NH2
CD
CG
CG
N
N
NH2
CD
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O2
O2
C5'
OP1
ARG I:50 K:49 115.0 0.511 H -62.2 -34.1 115.0 0.511 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
DC
8.865
7.983
6.180
6.873
9.321
5.314
2.942
3.508
8.552
8.383
6.652
5.015
9.673
CD
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
N
NH2
NH2
C2
O2
C4'
OP1
C2
O3'
O3'
OP1
OP1
O3'
OP2
OP2
OP2
6ugm 1 Q92133 96.3 5e-92 EM
2019-11-20 ARG A:49 A:49 88.0 0.391 H -86.4 -43.2 88.0 0.391 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DC
DT
DC
8.246
6.614
3.923
3.798
8.395
9.647
7.558
6.031
6.876
6.326
6.848
NH2
NH2
CD
CD
O
N
NH1
NH1
NH2
NH2
NH2
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O3'
C4'
OP1
ARG E:49 E:49 138.0 0.613 H -82.5 -24.1 138.0 0.613 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
9.477
8.026
6.807
7.796
9.461
5.681
3.694
4.034
8.373
9.810
7.038
4.956
NH1
CB
N
NH1
NH1
NH1
NH1
CG
O
N
NH2
NH2
C2
O3'
OP1
OP1
N3
O3'
C5'
OP1
OP1
O3'
O3'
OP2
6uh5 1 Q92133 96.3 5e-92 EM
2019-11-20 ARG A:49 A:49 94.0 0.418 H -93.9 -42.3 94.0 0.418 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
7.854
5.865
3.873
3.280
8.984
9.626
7.427
5.863
9.774
7.291
5.807
6.282
NH2
NH1
NH1
CD
O
N
N
NH1
NH2
NH2
NH2
NH2
N2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
O2
O3'
C5'
OP1
ARG E:49 E:49 145.0 0.644 H -80.6 -12.6 145.0 0.644 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
9.451
7.336
6.421
7.875
9.649
6.505
3.445
3.368
8.114
9.607
7.168
5.825
CD
CG
CD
NH1
CD
NH2
NH2
NE
O
N
NH1
NH1
C2
O3'
C5'
OP1
C2
O3'
C5'
OP1
OP1
O3'
O3'
OP1
1f66 2 Q7ZT64 95.59 6e-92 X-RAY
2000-11-27 ARG C:50 A:449 102.0 0.453 H -69.2 -38.5 102.0 0.453 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
DA
HOH
9.653
7.277
5.471
6.463
9.061
5.751
3.242
2.853
8.989
8.856
6.910
5.087
9.998
3.548
NH1
NH1
NH1
NH1
NH1
NH2
CD
CG
CG
N
N
NH2
NH2
O
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
OP2
O
ARG G:50 E:649 109.0 0.484 H -57.7 -39.4 109.0 0.484 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.225
5.759
3.187
2.990
7.868
9.034
6.893
5.541
9.049
6.546
5.644
6.612
2.791
NH2
NH2
CD
CD
O
N
N
NH2
NH1
NH1
NH1
NH2
O
N3
O3'
O3'
OP1
OP1
O3'
OP1
OP2
C2
O3'
C4'
OP1
O
7m1x 3 A0A310TTQ1 95.59 6e-92 EM
2021-09-29 ARG C:50 A:449 158.0 0.702 H -58.5 -41.8 158.0 0.702 0.0 DC
DG
DC
9.282
6.706
5.303
NH1
NH1
NH1
O3'
O3'
OP2
ARG G:50 E:649 116.0 0.516 H -57.6 -45.7 116.0 0.516 0.0 DT
DG
DT
DG
DT
DG
DT
DC
DC
5.277
3.493
4.145
9.607
7.627
6.304
8.595
7.270
8.329
NH1
NH1
CD
N
N
NH2
CD
CG
CD
O3'
O5'
OP1
O3'
OP1
OP2
O3'
OP1
OP1
1kx3 2 P84233 96.3 6e-92 X-RAY
2002-12-25 ARG C:49 A:49 107.0 0.476 H -59.2 -44.2 107.0 0.476 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
HOH
9.213
6.317
4.957
6.655
9.121
5.905
3.286
2.732
8.977
8.948
6.783
5.579
2.641
NH1
NH1
NH1
NH2
NH2
NH2
CD
CD
CD
N
N
NH2
O
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
O
ARG G:49 E:49 120.0 0.533 H -59.5 -40.2 120.0 0.533 0.0 DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
5.567
2.900
2.940
8.919
8.857
6.806
5.496
9.357
7.377
6.903
8.051
2.725
NH2
NH1
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
NH1
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C4'
OP1
O
1kx4 2 P16105 96.3 6e-92 X-RAY
2002-12-25 ARG C:49 A:49 113.0 0.502 H -70.4 -24.9 113.0 0.502 0.0 DG
DG
DA
DG
DC
DA
DA
DA
DA
DA
DG
DT
HOH
7.640
8.931
6.583
7.477
5.166
3.247
3.976
8.666
9.211
6.596
4.642
9.710
2.527
NH1
NH1
NH1
NH1
NH2
NH2
NE
O
N
NH2
NH2
NH2
NH2
N2
N2
C4'
OP1
O3'
C5'
OP1
OP2
O3'
O3'
OP2
OP2
O
ARG G:49 E:49 113.0 0.502 H -60.2 -46.2 113.0 0.502 0.0 DC
DC
DA
DA
DA
DG
DA
DA
DG
DG
DA
DG
HOH
9.985
6.081
3.431
2.996
8.150
8.703
6.532
5.732
7.165
8.038
6.328
7.127
3.747
NH2
NH2
CD
CD
O
N
N
NH2
NH1
NH1
NH1
NH2
CA
O2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
N2
O4'
C4'
OP1
O
1kx5 3 P16105 96.3 6e-92 X-RAY
2002-12-25 ARG C:49 A:49 120.0 0.533 H -65.2 -42.4 120.0 0.533 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DG
DA
DA
DC
HOH
9.811
7.739
6.172
6.898
9.254
5.621
3.287
2.846
8.906
8.887
6.760
4.777
9.699
2.451
NH1
CD
NH1
NH1
NH1
NH2
CD
CG
CG
N
NH2
NH2
NH2
NH2
C2
O3'
C4'
OP1
C2
O3'
O3'
OP1
OP2
O3'
C3'
OP2
OP2
O
ARG G:49 E:49 114.0 0.507 H -61.9 -39.5 114.0 0.507 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
8.874
5.632
3.670
3.343
9.408
8.920
6.845
4.988
9.481
7.724
5.850
6.822
2.700
NH2
NH1
NH2
CG
CG
N
N
NH1
NH2
NH2
NH2
NH2
O
C2
O3'
C5'
OP1
OP2
O3'
OP1
OP2
C2
O2
C4'
OP1
O
1s32 2 30268544 96.3 6e-92 X-RAY
2004-05-11 ARG C:49 A:449 113.0 0.502 H -62.1 -41.2 113.0 0.502 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
DA
HOH
9.665
7.559
5.799
7.031
9.272
5.590
3.263
2.894
8.929
8.950
6.499
4.666
9.537
2.698
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH2
O
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP2
O
ARG G:49 E:649 115.0 0.511 H -65.8 -40.0 115.0 0.511 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.208
5.848
3.483
3.209
9.045
8.921
6.859
5.140
9.446
7.771
6.416
6.782
2.615
NH2
NH2
NE
CG
CG
N
N
NH1
NH2
NH2
NH2
NH2
O
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C4'
OP1
O
1zbb 3 P84233 96.3 6e-92 X-RAY
2005-07-12 ARG C:49 A:49 118.0 0.524 H -65.3 -42.3 118.0 0.524 0.0 DA
DT
DG
DT
DG
DA
DA
DC
DC
DC
9.779
4.843
4.257
6.603
8.875
6.752
4.772
9.680
7.378
6.663
NH2
NH2
NH2
CG
N
NH2
NH2
NH2
NH1
NH1
O3'
O3'
OP1
OP1
O3'
C3'
OP2
OP2
O3'
C5'
ARG G:49 E:49 109.0 0.484 H -62.0 -39.4 109.0 0.484 0.0 DC
DC
DG
DA
DA
DT
DG
DA
DA
8.727
9.120
7.209
5.035
4.654
9.895
8.905
6.835
4.980
NH2
NH2
NH2
NE
CD
CG
N
N
NH1
C4'
C5'
O3'
O3'
OP1
OP2
O3'
OP1
OP2
ARG K:49 a:49 116.0 0.516 H -65.2 -42.3 116.0 0.516 0.0 DA
DT
DG
DT
DG
DA
DA
DC
DC
DT
6.865
4.321
4.071
9.292
8.875
6.752
4.772
9.677
7.742
8.253
NH1
CD
CD
CG
N
NH2
NH2
NH2
NH1
NH1
O3'
O3'
OP1
OP2
O3'
C3'
OP2
OP2
C4'
C5'
ARG O:49 e:49 111.0 0.493 H -61.9 -39.5 111.0 0.493 0.0 DC
DG
DA
DA
DT
DG
DA
DA
9.339
7.578
4.429
3.837
8.920
8.904
6.837
4.980
NH2
NH2
NH2
NE
CG
N
N
NH1
C4'
O3'
O3'
OP1
OP2
O3'
OP1
OP2
2fj7 3 30268544 96.3 6e-92 X-RAY
2006-09-26 ARG C:49 A:49 122.0 0.542 H -63.5 -9.7 122.0 0.542 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
9.691
6.092
2.856
3.628
8.227
9.268
6.958
8.280
7.913
6.615
7.124
8.426
NE
NH2
NE
NE
CG
N
NH1
NH1
NE
CD
CD
NH1
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
C2
O4'
C5'
OP1
ARG G:49 E:49 128.0 0.569 H -63.8 -62.3 128.0 0.569 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DT
DT
7.483
6.068
5.083
6.320
8.759
5.983
3.155
3.788
8.985
8.882
7.283
7.734
NH2
NH2
NH1
NH1
NH2
NH2
NH2
NE
O
N
N
NH1
C2
O2
C5'
OP1
C2
O3'
C4'
OP1
OP2
O3'
OP1
OP2
2nzd 3 288992 96.3 6e-92 X-RAY
2007-04-10 ARG C:49 A:49 112.0 0.498 H -54.8 -36.8 112.0 0.498 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
DA
HOH
9.810
7.373
5.470
6.449
9.598
5.992
3.179
2.917
9.150
9.027
6.743
5.228
9.866
4.689
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
O
N
NH2
NH2
NH2
O
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP2
O
ARG G:49 E:49 115.0 0.511 H -64.2 -34.9 115.0 0.511 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
DT
DT
DG
HOH
9.917
6.245
3.435
3.092
8.738
9.035
6.950
6.053
9.820
6.672
5.716
7.241
2.864
NH2
NH2
NE
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
O
N3
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C5'
OP1
O
3b6f 3 P84233 96.3 6e-92 X-RAY
2007-12-25 ARG C:49 A:49 105.0 0.467 H -68.6 -42.7 105.0 0.467 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DG
DA
DA
9.640
6.786
5.144
6.388
9.269
5.629
3.503
3.055
8.593
8.960
6.721
5.470
NH1
NH1
NH1
NH1
NH1
NH2
NH1
CG
CG
N
NH2
NH2
C2
O2
C4'
OP1
N3
O3'
C4'
OP1
OP1
O3'
O3'
OP1
ARG G:49 E:49 114.0 0.507 H -54.9 -35.7 114.0 0.507 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
8.991
5.580
3.442
3.773
9.332
8.789
6.435
4.942
9.067
7.235
5.596
6.327
NH2
NH1
NH1
CG
O
N
NH1
NH1
NH2
NH2
NH2
NH2
C2
O3'
C5'
OP1
OP1
O3'
O3'
OP2
C2
O2
C4'
OP1
3b6g 3 P84233 96.3 6e-92 X-RAY
2007-12-25 ARG C:49 A:49 118.0 0.524 H -90.1 -34.7 118.0 0.524 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DG
DA
DA
9.831
6.751
5.527
6.111
9.433
5.701
3.309
3.257
8.562
8.519
6.513
5.780
NH1
CD
NH1
NH1
NH1
NH2
NH2
CG
CG
N
N
NH2
C2
O3'
C4'
OP1
N3
O3'
C5'
OP1
OP2
O3'
OP1
OP2
ARG G:49 E:49 113.0 0.502 H -59.9 -27.6 113.0 0.502 0.0 DT
DA
DT
DC
DG
DA
DA
DT
DT
DG
5.752
3.519
3.386
8.402
8.844
6.478
5.178
8.089
5.750
6.051
NH1
CD
CG
O
NH2
NH2
NH1
NE
NH2
NH2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
O3'
C4'
OP1
3c1b 1 P02302 96.3 6e-92 X-RAY
2008-10-07 ARG A:49 A:449 109.0 0.484 H -69.3 -39.9 109.0 0.484 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
HOH
9.212
6.960
5.168
6.568
8.968
5.415
3.064
3.057
8.915
8.866
6.683
4.986
2.740
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
O
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
O
ARG E:49 E:649 110.0 0.489 H -63.1 -42.1 110.0 0.489 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.592
6.021
3.265
3.001
8.766
8.943
6.779
5.714
8.874
6.616
6.309
6.859
2.763
NH2
NH2
NH1
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
O
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C4'
OP1
O
3kuy 1 P84233 96.3 6e-92 X-RAY
2010-01-05 ARG A:49 A:49 108.0 0.48 H -62.2 -44.4 108.0 0.48 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
DA
9.866
7.784
5.796
6.516
9.671
5.663
3.288
3.070
9.596
8.896
6.589
4.669
9.253
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH2
C2
O2
C5'
OP1
C2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
ARG E:49 E:49 112.0 0.498 H -55.8 -43.7 112.0 0.498 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
DT
DT
DG
9.469
5.609
3.670
3.043
9.134
9.102
6.800
5.743
9.638
6.600
5.574
7.006
NH2
NH2
NH2
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
C2
O3'
C5'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C5'
OP1
3lja 1 P84233 96.3 6e-92 X-RAY
2010-04-14 ARG A:49 A:49 114.0 0.507 H -58.4 -37.3 114.0 0.507 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DG
DA
DA
DC
MN
9.948
7.987
6.188
6.875
9.310
5.483
3.572
3.116
9.541
8.949
6.367
4.279
9.411
8.607
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
O
N
NH2
NH2
NH2
NH2
C2
O2
C4'
OP1
C2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
MN
ARG E:49 E:49 116.0 0.516 H -66.3 -37.0 116.0 0.516 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
MN
8.931
5.520
3.446
3.163
9.303
8.878
6.795
5.285
9.457
7.677
6.106
6.900
9.201
NH2
NH1
NH1
CG
CG
N
N
NH1
NH2
NH2
NH2
NH2
NH1
C2
O3'
C5'
OP1
OP2
O3'
OP1
OP2
C2
O2
C4'
OP1
MN
3lz0 1 P84233 96.3 6e-92 X-RAY
2010-09-15 ARG A:49 A:49 102.0 0.453 H -60.3 -52.7 102.0 0.453 0.0 DA
DT
DC
DG
DT
DG
DT
DA
DG
DT
DG
9.545
8.964
6.751
7.155
5.454
2.800
2.978
7.993
9.066
6.918
5.653
NH1
NH1
NH1
NH1
NH2
NE
CD
CD
N
N
NH2
C2
C4'
C5'
OP1
O3'
O3'
OP1
OP1
O3'
OP1
OP2
ARG E:49 E:49 122.0 0.542 H -60.7 -40.8 122.0 0.542 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DG
8.480
6.831
3.484
3.053
8.217
9.039
6.890
5.355
9.623
7.325
5.149
7.048
NH1
NH2
NE
NE
CD
N
N
NH2
CD
CG
NH1
NH1
N2
O3'
O3'
OP1
P
O3'
OP1
OP2
O2
O3'
C5'
OP1
3lz1 1 P84233 96.3 6e-92 X-RAY
2010-09-15 ARG A:49 A:49 107.0 0.476 H -64.7 -54.4 107.0 0.476 0.0 DT
DC
DT
DG
DA
DA
DT
DC
DC
DG
DC
9.578
8.998
6.711
7.022
5.535
2.836
3.110
7.798
9.185
6.900
5.633
NH1
NH1
NH1
NH1
NH2
NE
CD
O
N
N
NH2
O2
C4'
C5'
OP1
O3'
O3'
OP1
OP1
O3'
OP1
OP2
ARG E:49 E:49 118.0 0.524 H -65.4 -41.0 118.0 0.524 0.0 DT
DG
DT
DA
DG
DT
DG
DC
DA
DT
DC
DG
6.391
3.598
3.218
8.106
8.961
6.784
5.530
9.968
9.426
7.054
4.862
6.973
NH2
NE
NE
O
N
N
NH2
NH2
NH1
NH1
NH1
NH1
O3'
O3'
OP1
OP1
O3'
OP1
OP2
OP2
C2
O3'
C5'
OP1
3mgp 1 P84233 96.3 6e-92 X-RAY
2010-06-16 ARG A:49 A:49 105.0 0.467 H -61.1 -38.0 105.0 0.467 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
DA
9.597
7.193
5.414
6.649
9.726
5.933
3.506
2.832
9.357
9.040
6.890
5.249
9.883
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH2
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP1
ARG E:49 E:49 101.0 0.449 H -63.0 -41.4 101.0 0.449 0.0 DA
DT
DA
DT
DC
DT
DG
DA
DA
DT
DT
DG
9.726
5.611
3.228
3.266
8.599
9.294
7.109
5.678
9.729
7.471
5.522
6.418
NH2
NH1
NH1
CG
CG
N
N
NH1
NH2
NH2
NH2
NH2
C2
O3'
C5'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C4'
OP1
3mgq 1 P84233 96.3 6e-92 X-RAY
2010-06-16 ARG A:49 A:49 109.0 0.484 H -61.8 -41.9 109.0 0.484 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
9.544
6.685
5.282
6.600
9.628
5.932
3.567
2.782
9.235
9.190
6.863
5.365
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
C2
O3'
C4'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
ARG E:49 E:49 112.0 0.498 H -62.5 -40.1 112.0 0.498 0.0 DA
DT
DA
DT
DC
DT
DG
DA
DA
DT
DT
DG
9.784
6.091
3.399
3.347
8.287
9.173
6.956
5.564
9.083
7.350
5.467
6.873
NH2
NH1
NE
CG
CG
N
N
NH1
NH2
NH2
NH2
NH2
N3
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C5'
OP1
3mgr 1 P84233 96.3 6e-92 X-RAY
2010-06-16 ARG A:49 A:49 115.0 0.511 H -65.9 -37.0 115.0 0.511 0.0 DT
DT
DG
DA
DT
DA
DT
DC
DG
DA
DA
DC
7.998
6.094
6.799
9.384
5.514
3.687
2.829
9.490
8.873
6.611
4.639
9.803
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH2
O3'
C4'
OP1
C2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
ARG E:49 E:49 113.0 0.502 H -60.1 -38.0 113.0 0.502 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
8.927
5.609
3.476
3.170
9.276
9.027
6.978
5.162
9.600
7.666
5.986
6.714
NH2
NH1
NH1
CG
CG
N
N
NH1
NH2
NH2
NH2
NH2
C2
O3'
C5'
OP1
OP2
O3'
OP1
OP2
C2
O2
C4'
OP1
3mgs 1 P84233 96.3 6e-92 X-RAY
2010-06-16 ARG A:49 A:49 112.0 0.498 H -63.3 -29.7 112.0 0.498 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DG
DA
DA
9.922
7.785
5.928
6.655
9.508
5.754
3.456
2.932
9.241
9.062
6.570
4.632
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
NH2
NH2
NH2
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
ARG E:49 E:49 109.0 0.484 H -56.5 -42.9 109.0 0.484 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
8.908
5.554
3.487
3.285
9.271
9.047
6.898
5.186
9.469
7.623
6.047
6.581
NH2
NH1
NH1
CG
CG
N
N
NH1
NH2
NH2
NH2
NH2
C2
O3'
C5'
OP1
OP2
O3'
OP1
OP2
C2
O2
C4'
OP1
3mnn 1 P84233 96.3 6e-92 X-RAY
2011-04-06 ARG A:49 A:49 113.0 0.502 H -61.8 -42.2 113.0 0.502 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
9.968
7.753
5.837
6.530
9.618
5.661
3.308
3.079
9.525
8.974
6.785
4.748
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
ARG E:49 E:49 113.0 0.502 H -51.2 -44.1 113.0 0.502 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
DT
DT
DG
9.307
5.328
3.356
2.959
9.001
9.004
6.911
5.900
9.506
6.999
5.768
7.400
NH2
NH2
NH2
CG
CG
N
N
NH2
NH2
NH1
NH1
NH2
C2
O3'
C5'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C5'
OP1
3mvd 1 P84233 96.3 6e-92 X-RAY
2010-08-25 ARG A:49 A:49 109.0 0.484 H -59.6 -37.8 109.0 0.484 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DG
DT
DC
DT
DC
8.217
5.576
3.090
3.114
8.775
8.919
6.325
4.437
9.605
9.227
7.465
5.805
7.387
NH1
NH2
CD
CG
O
NH2
NH2
NH2
NH2
NH1
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
O2
O2
C4'
OP1
ARG E:49 E:49 115.0 0.511 H -63.9 -40.1 115.0 0.511 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
DC
9.488
8.239
6.314
7.601
9.290
5.363
3.209
3.470
8.468
9.130
6.580
4.495
9.589
NH1
NH1
NH1
NH1
NH1
NH1
CD
CG
O
NH2
NH2
NH2
NH2
C2
O2
C4'
OP1
C2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
3o62 1 P84233 96.3 6e-92 X-RAY
2011-01-05 ARG A:49 A:49 154.0 0.684 H -43.3 -40.8 154.0 0.684 0.0 DA
DT
DA
DA
DC
DT
DA
DT
DA
DG
DA
DA
DC
8.580
7.036
6.364
6.951
8.695
8.363
4.293
4.345
3.195
6.046
9.545
7.235
9.509
NH2
NH2
NH2
NH2
NH2
NH2
NH2
NH2
NH1
NH1
N
N
NE
C2
O2
N3
C4'
OP1
O2
N3
C4'
OP1
OP2
O3'
OP1
OP2
ARG E:49 E:49 134.0 0.596 H -42.5 -56.8 134.0 0.596 0.0 DA
DT
DA
DT
DC
DC
DA
DA
DA
DT
DT
DG
8.837
5.628
2.975
2.826
6.561
9.244
7.206
7.113
7.202
7.455
7.320
7.598
NH2
NH2
NH1
NH1
NH1
N
N
NE
NH2
NH2
NH2
NH2
C2
O2
O3'
OP1
OP1
O3'
OP1
OP2
C2
O2
O4'
OP1
3reh 1 P84233 96.3 6e-92 X-RAY
2012-03-14 ARG A:49 A:49 114.0 0.507 H -63.4 -36.7 114.0 0.507 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
DA
HOH
9.516
7.448
5.580
6.528
9.480
5.937
3.198
2.890
9.077
8.919
6.872
5.073
9.858
4.433
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH2
O
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP2
O
ARG E:49 E:49 112.0 0.498 H -64.5 -40.6 112.0 0.498 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
DT
DT
DG
HOH
9.716
6.440
3.415
2.992
8.660
8.958
6.975
5.888
9.884
6.589
5.591
6.968
2.918
NH2
NH2
NE
CG
CG
N
N
NH2
NH2
NH1
NH1
NH2
O
N3
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C5'
OP1
O
3rei 1 P84233 96.3 6e-92 X-RAY
2012-03-14 ARG A:49 A:49 114.0 0.507 H -63.4 -35.4 114.0 0.507 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
9.495
7.485
5.655
6.685
9.589
5.831
3.161
2.894
9.479
8.872
6.851
5.028
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CD
N
NH2
NH2
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
ARG E:49 E:49 113.0 0.502 H -64.7 -41.8 113.0 0.502 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
DT
DT
DG
9.846
6.575
3.383
3.102
8.815
9.017
6.939
5.759
9.450
6.569
5.494
7.140
NH2
NH2
CD
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
N3
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C5'
OP1
3rej 1 P84233 96.3 6e-92 X-RAY
2012-03-14 ARG A:49 A:49 115.0 0.511 H -76.6 -27.2 115.0 0.511 0.0 DG
DG
DA
DG
DC
DA
DA
DA
DA
DA
DG
DT
HOH
8.419
8.754
6.742
7.674
5.545
3.386
2.901
8.583
9.007
6.858
4.872
9.898
2.461
NH1
NH1
NH1
NH1
NH2
NH2
NE
O
N
NH2
NH2
NH2
NH2
N2
N2
C4'
OP1
O3'
C5'
OP1
OP1
O3'
O3'
OP2
OP2
O
ARG E:49 E:49 116.0 0.516 H -58.3 -42.5 116.0 0.516 0.0 DC
DA
DA
DA
DG
DA
DA
DG
DG
DA
DG
HOH
6.149
3.646
2.770
7.759
9.037
6.976
5.139
7.364
8.026
6.322
7.275
3.409
NH2
CD
CD
O
N
N
NH2
NH1
NH1
NH1
NH2
CA
O3'
O3'
OP1
OP1
O3'
OP1
OP2
N2
O3'
C4'
OP1
O
3rek 1 P84233 96.3 6e-92 X-RAY
2012-03-14 ARG A:49 A:49 120.0 0.533 H -75.0 -28.4 120.0 0.533 0.0 DG
DG
DA
DG
DC
DA
DA
DA
DA
DA
DG
8.758
9.046
6.998
7.651
5.630
3.421
2.791
8.301
9.010
6.947
5.017
NH1
NH1
NH1
NH1
NH2
NH2
NE
O
N
N
NH2
N2
N2
C4'
OP1
O3'
C5'
OP1
OP1
O3'
OP1
OP2
ARG E:49 E:49 116.0 0.516 H -62.3 -46.7 116.0 0.516 0.0 DC
DA
DA
DA
DG
DA
DA
DG
DG
DA
DG
6.166
3.609
2.839
7.655
9.180
6.984
5.256
7.341
8.039
6.585
7.193
NH2
CD
CD
O
N
N
NH2
NH1
NH1
NH1
NH2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
N2
O3'
C4'
OP1
3rel 1 P84233 96.3 6e-92 X-RAY
2012-03-14 ARG A:49 A:49 117.0 0.52 H -74.1 -34.9 117.0 0.52 0.0 DG
DG
DA
DG
DC
DA
DA
DA
DA
DA
DG
8.579
8.970
7.032
7.525
5.496
3.251
3.083
8.495
9.159
6.947
5.110
NH1
NH1
NH1
NH1
NH2
NE
NE
O
N
NH2
NH2
N2
N2
C4'
OP1
O3'
O3'
OP1
OP1
O3'
O3'
OP2
ARG E:49 E:49 113.0 0.502 H -72.8 -48.4 113.0 0.502 0.0 DC
DA
DA
DA
DG
DA
DA
DG
DG
DA
DG
6.156
3.247
2.797
7.707
9.107
6.633
4.913
7.434
8.331
6.323
7.260
NH2
CD
CD
O
N
NH2
NH2
NH1
NH1
NH1
NH2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
N2
O3'
C4'
OP1
3tu4 1 P84233 96.3 6e-92 X-RAY
2011-11-23 ARG A:49 A:49 119.0 0.529 H -69.8 -34.2 119.0 0.529 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DG
DT
DC
DT
DC
6.874
5.312
3.520
3.434
8.727
8.871
6.107
4.416
9.633
8.997
7.067
5.980
7.575
NH1
NH1
CD
CG
CG
NH2
NH2
NH2
NH2
NH1
NH1
NH1
NH1
N2
O3'
O3'
OP1
P
O3'
O3'
OP2
OP2
O2
O2
C4'
OP1
ARG E:49 E:49 123.0 0.547 H -65.5 -34.0 123.0 0.547 0.0 DA
DT
DC
DC
DT
DG
DT
DA
DG
DT
DG
DC
9.059
7.330
6.143
7.434
5.839
3.175
3.237
7.830
8.756
6.234
4.238
9.791
CD
CD
CD
NE
NH2
NH1
NH1
O
NH2
NH2
NH2
NH2
C2
O3'
C5'
OP1
O3'
O3'
OP1
OP1
O3'
C3'
OP2
OP2
3ut9 1 P84233 96.3 6e-92 X-RAY
2012-04-11 ARG A:49 A:49 117.0 0.52 H -63.2 -36.9 117.0 0.52 0.0 DT
DG
DT
DG
DC
DA
DA
DT
DC
DG
DT
DG
DC
HOH
9.384
7.769
5.781
7.052
9.907
5.865
3.197
3.328
7.929
9.008
6.704
4.744
9.666
7.379
CD
CG
NH1
NH1
NH1
NH2
NE
NE
O
N
NH2
NH2
NH2
O
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
O
ARG E:49 E:49 111.0 0.493 H -55.5 -44.2 111.0 0.493 0.0 DA
DA
DT
DC
DG
DT
DG
DC
DT
DG
DT
DG
HOH
5.505
3.145
3.318
7.655
9.008
6.849
4.970
9.934
9.569
8.563
6.518
7.102
2.911
NH2
NE
CG
O
N
NH2
NH2
NH2
NH1
NH1
NH1
NH1
O
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP2
O2
O3'
C4'
OP1
O
3uta 1 P84233 96.3 6e-92 X-RAY
2012-04-11 ARG A:49 A:49 111.0 0.493 H -65.6 -42.5 111.0 0.493 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
HOH
9.696
7.512
5.612
6.520
9.264
5.372
3.366
3.174
9.318
9.009
6.852
4.870
7.323
NH1
CD
NH1
NH1
NH1
NH2
CD
CG
CG
N
NH2
NH2
O
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
O
ARG E:49 E:49 117.0 0.52 H -55.8 -42.2 117.0 0.52 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
DT
DT
DG
HOH
9.410
6.062
3.665
3.031
8.745
9.028
7.062
6.034
9.156
6.847
5.635
6.719
7.088
NH2
NH2
NH1
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
O
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
C2
O3'
C5'
OP1
O
3utb 1 P84233 96.3 6e-92 X-RAY
2012-04-11 ARG A:49 A:49 117.0 0.52 H -71.4 -25.4 117.0 0.52 0.0 DG
DG
DA
DG
DC
DA
DA
DA
DA
DA
DG
HOH
8.216
8.748
6.640
7.114
5.285
3.274
2.979
8.584
9.139
7.069
5.075
2.480
NH1
NH1
NH1
NH1
NH2
NH2
NE
O
N
N
NH2
NH2
N2
N2
C4'
OP1
O3'
C5'
OP1
OP1
O3'
OP1
OP2
O
ARG E:49 E:49 119.0 0.529 H -59.0 -47.3 119.0 0.529 0.0 DC
DA
DA
DA
DG
DA
DA
DG
DG
DA
DG
HOH
5.660
3.421
2.993
8.016
8.998
6.759
4.850
7.439
8.312
6.286
7.751
2.810
NH2
CD
CD
O
N
NH2
NH2
NH1
NH1
NH1
NH1
O
O3'
O3'
OP1
OP1
O3'
O3'
OP2
N2
O3'
C4'
OP1
O
4j8u 1 P84233 96.3 6e-92 X-RAY
2013-04-17 ARG A:49 A:49 116.0 0.516 H -60.1 -37.7 116.0 0.516 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
9.736
7.557
5.683
6.558
9.508
6.091
3.263
3.002
9.342
9.025
6.834
4.923
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
ARG E:49 E:49 111.0 0.493 H -54.7 -45.2 111.0 0.493 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
DT
DT
DG
9.476
5.909
3.423
3.098
9.050
9.015
6.930
5.775
9.674
6.701
5.408
7.158
NH2
NH2
CD
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
N3
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C5'
OP1
4j8v 1 P84233 96.3 6e-92 X-RAY
2013-05-08 ARG A:49 A:49 113.0 0.502 H -56.4 -34.3 113.0 0.502 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
9.659
6.127
3.265
2.927
9.341
8.974
6.680
4.861
9.975
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH2
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP2
ARG E:49 E:49 113.0 0.502 H -63.7 -41.5 NA NA NA
4j8w 1 P84233 96.3 6e-92 X-RAY
2013-04-17 ARG A:49 A:49 114.0 0.507 H -56.9 -41.6 114.0 0.507 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
DA
9.630
7.598
5.758
6.620
9.450
6.010
3.323
3.019
9.285
8.949
6.835
4.927
9.910
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH2
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP2
ARG E:49 E:49 112.0 0.498 H -55.3 -48.6 112.0 0.498 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
DT
DT
DG
9.476
6.035
3.410
3.077
8.805
8.974
6.957
5.777
9.635
6.656
5.453
7.139
NH2
NH2
CD
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
N3
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C5'
OP1
4j8x 1 P84233 96.3 6e-92 X-RAY
2013-05-08 ARG A:49 A:49 114.0 0.507 H -63.3 -32.7 114.0 0.507 0.0 DA
DT
DT
DG
9.670
7.714
5.755
6.720
NH1
NH1
NH1
NH1
C2
O3'
C5'
OP1
ARG E:49 E:49 112.0 0.498 H -55.7 -48.8 NA NA NA
4r8p 1 P84233 96.3 6e-92 X-RAY
2014-11-05 ARG A:49 A:49 130.0 0.578 H -61.7 -38.9 130.0 0.578 0.0 DA
DT
DC
DC
DT
DG
DT
DA
DG
DT
DG
8.671
7.416
6.211
8.047
6.093
3.392
2.353
7.976
9.150
7.045
5.827
NE
CG
CD
CD
NH2
NH2
NH2
O
NH1
N
NH1
C2
O3'
C5'
OP1
O3'
C3'
OP1
OP1
O3'
OP1
OP2
ARG E:49 E:49 113.0 0.502 H -65.0 -32.8 113.0 0.502 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DC
DT
DC
8.529
6.318
3.989
3.234
8.328
9.315
7.074
6.173
6.636
5.004
6.914
NH1
NH2
NE
CD
CD
N
N
NH2
NH1
NH1
NH1
N2
O3'
O3'
OP1
P
O3'
OP1
OP2
O3'
C5'
OP1
4wu8 3 P84233 96.3 6e-92 X-RAY
2015-09-02 ARG C:49 A:49 115.0 0.511 H -57.9 -39.4 115.0 0.511 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
DA
9.900
7.970
6.062
6.763
9.670
5.573
3.426
3.165
9.492
8.905
6.444
4.469
8.932
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH2
C2
O3'
C5'
OP1
N3
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP2
ARG G:49 E:49 118.0 0.524 H -58.2 -41.0 118.0 0.524 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
DT
DT
DG
HOH
9.638
5.368
3.392
3.068
9.207
9.003
6.963
5.302
9.335
7.096
5.615
7.499
6.906
NH2
NH2
NH2
CG
CG
N
N
NH2
NH1
NH1
NH1
NH1
O
N3
O3'
C5'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C5'
OP1
O
4wu9 1 P84233 96.3 6e-92 X-RAY
2015-09-02 ARG A:49 A:49 125.0 0.556 H -47.6 -43.1 125.0 0.556 0.0 DA
DT
DT
DG
DT
DA
DT
DC
DA
DA
DC
DA
9.566
7.999
6.517
7.546
5.036
3.079
2.939
9.343
9.111
6.906
5.025
9.458
CD
CD
NH1
NH1
NH2
CD
CG
O
N
NH1
NH2
NH2
C2
O3'
C5'
OP1
O3'
O3'
OP1
OP1
O3'
OP1
OP2
OP2
ARG E:49 E:49 113.0 0.502 H -54.1 -51.8 113.0 0.502 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
DT
DT
DG
9.397
5.559
3.647
3.206
8.930
9.105
7.012
6.051
9.173
6.931
5.884
6.820
NH2
NH2
NH2
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
C2
O3'
C5'
OP1
OP2
O3'
OP1
OP1
C2
O3'
C5'
OP1
4xuj 1 P84233 96.3 6e-92 X-RAY
2016-01-27 ARG A:49 A:49 110.0 0.489 H -62.3 -37.9 110.0 0.489 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
9.688
7.252
5.490
6.668
9.597
6.858
3.365
3.186
9.521
8.774
6.538
4.727
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CD
NH2
NH2
NH2
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
ARG E:49 E:49 115.0 0.511 H -63.4 -50.4 115.0 0.511 0.0 DT
DA
DT
DC
DA
DA
DC
DA
DT
DT
DG
6.268
3.382
3.285
8.888
8.918
6.984
5.680
9.227
6.865
5.605
7.291
NH2
NH1
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
C2
O3'
C5'
OP1
5cp6 3 P84233 96.3 6e-92 X-RAY
2016-06-01 ARG C:49 A:49 116.0 0.516 H -65.4 -40.9 116.0 0.516 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
9.837
7.746
5.899
6.793
9.609
5.631
3.388
3.112
9.368
9.034
6.633
4.876
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
NH2
NH2
NH2
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
ARG G:49 E:49 114.0 0.507 H -58.1 -43.9 114.0 0.507 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
DT
DT
DG
HOH
9.425
5.510
3.487
3.224
8.882
9.013
6.871
5.717
9.243
6.799
5.307
6.988
6.946
NH2
NH2
CD
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
O
N3
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C5'
OP1
O
5dnm 1 P84233 96.3 6e-92 X-RAY
2016-09-14 ARG A:49 A:49 110.0 0.489 H -65.9 -43.6 110.0 0.489 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
9.895
7.575
5.717
6.843
9.644
5.698
3.386
3.027
9.568
8.863
6.708
4.804
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
ARG E:49 E:49 111.0 0.493 H -56.4 -43.6 111.0 0.493 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
DT
DT
DG
9.505
5.354
3.526
3.010
9.020
8.977
6.806
5.690
9.553
6.890
5.573
7.480
NH2
NH2
NH2
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
N3
O3'
C5'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C5'
OP1
5dnn 1 P84233 96.3 6e-92 X-RAY
2016-09-14 ARG A:49 A:49 108.0 0.48 H -66.6 -45.6 108.0 0.48 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
9.955
7.667
5.676
6.571
9.669
5.627
3.392
3.010
9.581
8.906
6.768
4.788
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
ARG E:49 E:49 109.0 0.484 H -53.1 -43.6 109.0 0.484 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
DT
DT
DG
9.488
5.443
3.531
2.954
9.141
8.991
6.945
5.664
9.584
6.847
5.574
7.316
NH2
NH2
NH2
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
N3
O3'
C5'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C5'
OP1
5hq2 1 P84233 96.3 6e-92 X-RAY
2016-03-23 ARG A:49 A:49 53.0 NA H -65.2 -43.4 53.0 NA NA DT
DC
DC
DT
DG
DT
DA
DG
DT
DG
8.671
7.907
9.967
9.853
6.771
5.404
8.571
9.143
6.947
9.444
CB
CB
N
CB
CB
CB
O
N
N
CB
O3'
C5'
OP1
O2
O3'
OP1
OP1
O3'
OP1
OP2
5nl0 1 P84233 96.3 6e-92 X-RAY
2017-05-17 ARG A:49 A:49 111.0 0.493 H -54.9 -42.1 111.0 0.493 0.0 DT
DG
DT
DG
DC
DA
DA
DT
DC
DG
DT
DG
DC
9.892
8.100
6.524
6.907
9.694
5.747
3.599
3.076
8.449
8.749
6.522
4.623
9.753
CD
CG
NH1
NH1
NH1
NH1
NH1
NE
O
NH2
NH2
NH2
NH2
O2
O3'
C5'
OP1
O2
O3'
C5'
OP1
OP2
O3'
O3'
OP2
OP2
ARG E:49 E:49 108.0 0.48 H -62.7 -37.2 108.0 0.48 0.0 DC
DA
DA
DT
DC
DG
DT
DG
DG
DT
DG
9.355
5.248
3.160
2.862
8.212
8.874
6.692
4.918
8.361
7.585
8.173
NH1
NH1
NH1
CG
O
N
NH2
NH2
NH1
NH1
NH1
O2
O3'
C5'
OP1
OP1
O3'
O3'
OP2
N2
C4'
OP1
ARG K:49 K:49 113.0 0.502 H -62.6 -37.2 NA NA NA
5oxv 5 P84233 96.3 6e-92 X-RAY
2017-10-11 ARG E:49 O:49 119.0 0.529 H -60.6 -40.9 119.0 0.529 0.0 DC
DT
DC
DG
DA
DA
DT
DC
DC
DG
DC
7.480
5.146
6.817
7.573
6.826
3.483
3.054
8.216
9.040
6.891
5.354
NH1
NH1
NH1
NH1
NH2
NE
NE
CD
N
N
NH2
O3'
C4'
OP1
N2
O3'
O3'
OP1
P
O3'
OP1
OP2
ARG I:49 K:49 105.0 0.467 H -60.3 -52.8 105.0 0.467 0.0 DT
DG
DT
DA
DG
DT
DG
DA
DT
DC
DC
5.405
2.800
2.977
7.993
9.066
6.918
5.653
9.273
8.613
6.161
7.534
NH2
NE
CD
CD
N
N
NH2
NH1
NH1
NH1
NH1
O3'
O3'
OP1
OP1
O3'
OP1
OP2
C2
C4'
C5'
OP1
ARG N:49 E:49 118.0 0.524 H -60.6 -40.9 118.0 0.524 0.0 DT
DC
DT
DC
DG
DA
DA
DT
DC
DC
DG
DC
9.848
7.374
5.073
6.895
8.674
6.816
3.483
3.054
8.217
9.039
6.890
5.354
CD
CG
NH1
NH1
NH1
NH2
NE
NE
CD
N
N
NH2
O2
O3'
C4'
OP1
N2
O3'
O3'
OP1
P
O3'
OP1
OP2
ARG R:49 A:49 104.0 0.462 H -60.3 -52.7 104.0 0.462 0.0 DT
DG
DT
DA
DG
DT
DG
DA
DT
DC
DC
5.475
2.800
2.979
7.993
9.066
6.917
5.653
9.439
8.688
6.243
7.502
NH2
NE
CD
CD
N
N
NH2
NH1
NH1
NH1
NH1
O3'
O3'
OP1
OP1
O3'
OP1
OP2
C2
C4'
C5'
OP1
5oy7 2 Q92133 96.3 6e-92 X-RAY
2017-09-20 ARG B:49 M:49 120.0 0.533 H -60.8 -40.6 120.0 0.533 0.0 DA
DG
DA
DA
DT
DC
DG
DC
DT
DC
DC
8.833
6.708
4.396
4.872
9.521
9.040
6.890
5.353
7.390
5.486
6.735
NH1
NH2
NH2
CD
CD
N
N
NH2
CD
NH1
NH1
C2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
O3'
C4'
OP1
ARG F:49 Q:49 103.0 0.458 H -60.4 -52.6 103.0 0.458 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
9.704
7.951
5.926
8.042
9.138
4.813
3.176
3.267
9.069
9.066
6.917
5.652
NH1
NH1
NH1
NH1
NH2
NH2
CD
CD
CD
N
N
NH2
C2
O3'
C4'
OP1
N3
O3'
O3'
OP1
OP2
O3'
OP1
OP2
ARG H:49 I:49 106.0 0.471 H -60.4 -52.7 106.0 0.471 0.0 DA
DT
DC
DC
DT
DG
DT
DA
DG
DT
DG
9.350
8.870
6.362
7.774
5.256
2.959
3.585
8.506
9.066
6.917
5.653
NH1
NH1
NH1
NH1
NH2
NE
CD
CD
N
N
NH2
C2
C4'
C5'
OP1
O3'
O3'
OP1
P
O3'
OP1
OP2
ARG J:49 A:49 105.0 0.467 H -60.3 -52.8 105.0 0.467 0.0 DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
8.684
6.665
7.321
9.516
5.685
3.796
3.234
9.436
9.066
6.918
5.654
NH1
NH1
NH1
NH2
NH2
NH2
CD
CD
N
N
NH2
O3'
C4'
OP1
C2
O3'
C5'
OP1
OP2
O3'
OP1
OP2
ARG N:49 E:49 123.0 0.547 H -60.7 -40.8 123.0 0.547 0.0 DA
DG
DA
DA
DT
DC
DG
DC
DC
DT
DC
DC
8.445
6.741
3.224
2.801
8.726
9.039
6.890
5.355
9.277
6.084
5.122
7.126
NH1
NH1
NE
NE
CD
N
N
NH2
NH1
NH1
NH1
NH1
C2
N2
O3'
OP1
P
O3'
OP1
OP2
O2
O3'
C5'
OP1
ARG U:49 U:49 118.0 0.524 H -60.7 -40.7 118.0 0.524 0.0 DA
DG
DA
DA
DT
DC
DG
DC
DC
DT
DC
DC
8.910
6.400
3.695
3.734
9.491
9.039
6.890
5.356
8.742
6.670
6.471
9.875
NH1
NH2
NE
CD
CD
N
N
NH2
NH1
NH1
NH1
NH1
C2
O3'
O3'
OP1
P
O3'
OP1
OP2
O2
O3'
C5'
OP1
ARG Y:49 Y:49 105.0 0.467 H -60.3 -52.7 105.0 0.467 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
9.613
7.560
6.098
7.469
9.799
5.453
3.180
3.580
8.816
9.066
6.918
5.654
NH1
NH1
NH1
NH1
NH2
NH2
NH2
CD
CD
N
N
NH2
C2
O3'
C5'
OP1
N3
O3'
C5'
OP1
P
O3'
OP1
OP2
ARG CA:49 c:49 119.0 0.529 H -60.7 -40.8 119.0 0.529 0.0 DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
6.905
3.680
3.406
8.210
9.039
6.891
5.354
9.509
7.456
5.918
7.142
NH2
NE
NE
O
N
N
NH2
CD
CG
NH1
NH1
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O2
O3'
C4'
OP1
5xf6 1 P84233 96.3 6e-92 X-RAY
2017-10-11 ARG A:49 A:49 114.0 0.507 H -63.8 -44.4 114.0 0.507 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
9.720
7.562
5.755
6.907
9.512
5.838
3.362
3.009
9.397
8.860
6.637
4.788
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
ARG E:49 E:49 113.0 0.502 H -59.3 -43.3 113.0 0.502 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
DT
DT
DG
9.528
5.382
3.472
2.952
9.003
8.964
6.833
5.512
9.503
6.827
5.542
7.485
NH2
NH2
NH2
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
N3
O3'
C5'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C5'
OP1
5z3l 1 P84233 96.3 6e-92 EM
2019-04-03 ARG A:49 A:49 110.0 0.489 H -60.9 -42.2 110.0 0.489 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DG
DC
DT
DC
9.552
6.919
3.259
3.228
9.180
9.093
7.053
5.194
9.563
8.345
6.825
7.124
NH1
NH1
CD
CD
CG
NH2
NH2
NH2
NH2
CB
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
OP2
O3'
C5'
OP1
ARG E:49 E:49 108.0 0.48 H -60.8 -42.3 108.0 0.48 0.0 DT
DC
DC
DG
DA
DT
DG
DG
DT
DG
8.370
6.157
7.798
8.397
5.550
3.827
4.631
9.556
7.236
5.802
CD
NH1
NH1
NH1
NH2
NH2
CG
NH2
NH2
NH2
O3'
C4'
OP1
N2
O3'
OP1
OP1
O3'
OP1
OP2
5z3o 1 P84233 96.3 6e-92 EM
2019-04-03 ARG A:49 A:49 103.0 0.458 H -59.9 -44.4 103.0 0.458 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DC
DT
DC
9.886
6.750
3.479
3.230
9.278
8.607
6.206
4.236
9.753
7.715
7.615
NH1
CZ
CD
CG
CG
NH2
NH2
NH2
CB
NH1
NH1
N2
O3'
O3'
OP1
OP2
O3'
C3'
OP2
O3'
C4'
OP1
ARG E:49 E:49 105.0 0.467 H -59.8 -44.3 105.0 0.467 0.0 DA
DT
DC
DC
DA
DT
DG
DG
DT
DG
9.648
9.394
7.476
7.675
6.360
3.752
3.865
8.825
6.710
4.798
CD
CB
NH1
NH1
NH2
CD
CG
NH2
NH2
NH2
C2
O3'
C4'
OP1
O3'
O3'
OP1
O3'
OP1
OP2
5z3u 2 P84233 96.3 6e-92 EM
2019-05-22 ARG B:49 A:49 117.0 0.52 H -59.5 -38.5 117.0 0.52 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DG
DC
DT
DC
9.728
6.508
3.255
3.092
9.334
8.831
6.608
5.046
9.729
8.359
6.593
7.202
NH1
NH2
CD
CG
O
NH2
NH2
NH2
NH2
CD
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
OP2
O3'
C4'
OP1
ARG F:49 E:49 115.0 0.511 H -59.4 -38.6 115.0 0.511 0.0 DA
DT
DC
DC
DT
DG
DT
DA
DG
DT
DG
9.946
9.122
6.896
7.923
6.493
3.630
3.879
9.143
8.777
6.734
5.146
CD
CD
NH1
NH1
NH2
CD
CG
O
NH2
NH2
NH2
C2
O4'
C4'
OP1
O3'
O3'
OP1
OP2
O3'
OP1
OP2
5z3v 2 P84233 96.3 6e-92 EM
2019-05-22 ARG B:49 A:49 117.0 0.52 H -60.5 -36.0 117.0 0.52 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DC
DT
DC
9.842
6.946
3.435
3.231
8.886
8.946
6.542
4.741
8.537
6.821
7.587
NH1
NH2
CD
CD
CG
NH2
NH2
NH2
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
O3'
C5'
OP1
ARG F:49 E:49 117.0 0.52 H -60.5 -35.9 117.0 0.52 0.0 DA
DT
DC
DC
DT
DG
DT
DA
DG
DT
DG
9.717
8.988
6.986
7.300
6.502
3.394
3.324
9.467
8.856
6.878
5.345
CD
NH1
NH1
NH1
NH2
CD
CG
CG
NH2
NH2
NH2
C2
O3'
C4'
OP1
O3'
O3'
OP1
OP2
O3'
OP1
OP2
6esf 1 P84233 96.3 6e-92 EM
2017-12-20 ARG A:49 A:49 126.0 0.56 H -64.0 -40.9 126.0 0.56 0.0 DC
DT
DC
DG
DA
DA
DT
DC
DC
DG
DC
8.312
6.155
7.134
8.966
6.135
3.535
3.261
8.904
9.944
7.680
5.870
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
N
NH2
O3'
C4'
OP1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
ARG E:49 E:49 125.0 0.556 H -63.1 -34.8 125.0 0.556 0.0 DA
DT
DG
DT
DA
DG
DT
DG
DT
DC
DC
9.758
6.694
3.451
3.290
8.886
9.615
7.638
5.760
8.640
6.114
6.910
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH1
NH1
NH1
C2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
O3'
C4'
OP1
6esg 1 P84233 96.3 6e-92 EM
2017-12-20 ARG A:49 A:49 159.0 0.707 H -69.8 -39.8 159.0 0.707 0.0 DT
DC
DT
DC
DG
DA
DA
DT
DC
DG
DC
9.514
6.585
5.668
4.661
7.977
4.420
3.082
4.914
8.692
6.520
8.273
CD
CD
CD
NH1
NH1
NH2
NH2
NE
N
N
NH2
O2
O3'
C5'
OP1
N2
O3'
O5'
OP1
O3'
OP1
OP2
ARG E:49 E:49 156.0 0.693 H -67.4 -32.7 156.0 0.693 0.0 DT
DG
DT
DT
DG
5.932
3.455
4.772
8.409
8.619
NH2
NH2
CD
N
NH2
O3'
OP1
OP2
OP1
OP2
6esh 1 P84233 96.3 6e-92 EM
2017-12-20 ARG A:49 A:49 112.0 0.498 H -61.7 -39.8 112.0 0.498 0.0 DT
DC
DT
DC
DG
DA
DA
DT
DC
DC
DG
DC
9.717
8.144
6.370
7.298
8.879
5.447
3.219
3.251
9.290
9.712
7.713
6.414
CD
CD
NH1
NH1
NH1
NH2
CD
CD
CG
N
N
NH2
O2
O3'
C4'
C5'
N2
O3'
O3'
OP1
P
O3'
OP1
OP2
ARG E:49 E:49 134.0 0.596 H -67.7 -37.3 134.0 0.596 0.0 DT
DG
7.851
6.140
N
NH2
OP1
OP1
6esi 1 P84233 96.3 6e-92 EM
2017-12-20 ARG A:49 A:49 79.0 0.351 H -66.9 -29.7 79.0 0.351 0.0 DT
DC
DA
DA
DT
DC
DC
DG
DC
DG
8.123
7.443
7.753
5.024
4.800
9.705
8.601
5.162
3.737
9.023
N
N
CD
CD
CG
O
NH2
NH2
NH2
NH1
O5'
OP1
O3'
O3'
OP1
OP2
O3'
O3'
OP1
OP2
ARG E:49 E:49 177.0 0.787 I -67.9 -56.1 177.0 0.787 0.0 DG
DT
DG
DT
DA
DC
5.469
3.346
6.626
9.130
7.011
8.862
NE
CD
CD
NH2
NH2
NH2
O3'
OP1
OP2
O3'
OP1
OP1
6iro 2 A0A310TTQ1 96.3 6e-92 EM
2019-04-03 ARG B:49 A:49 102.0 0.453 H -67.0 -36.0 102.0 0.453 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DC
DT
DC
8.760
6.380
3.349
3.261
8.866
9.397
6.776
5.061
7.818
6.109
7.148
NH1
NH2
CD
CD
CG
NH2
NH2
NH2
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
O3'
C5'
OP1
ARG F:49 E:49 106.0 0.471 H -66.6 -35.3 106.0 0.471 0.0 DT
DC
DC
DG
DA
DT
DG
DG
DT
DG
9.149
7.357
7.634
9.074
6.097
3.760
3.311
9.399
7.078
5.352
NH1
NH1
NH1
NH1
NH1
CD
CD
NH2
NH2
NH2
O2
O4'
OP1
N2
O3'
O3'
OP1
O3'
O3'
OP2
6jyl 1 A0A310TTQ1 96.3 6e-92 EM
2019-05-29 ARG A:49 A:49 117.0 0.52 H -65.8 -37.0 117.0 0.52 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
8.534
5.913
3.451
3.339
9.169
9.796
7.220
5.566
9.867
7.589
6.301
7.440
NH1
NH2
CD
CD
CG
NH2
NH2
NH2
NH1
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
O2
O3'
C5'
OP1
ARG E:49 E:49 113.0 0.502 H -67.7 -34.6 113.0 0.502 0.0 DT
DC
DC
DT
DG
DT
DA
DG
DT
DG
7.775
6.307
7.473
6.741
3.419
3.307
8.886
9.177
6.958
5.406
NH1
NH1
NH1
NH2
CD
CD
CG
NH2
NH2
NH2
O3'
C4'
OP1
O3'
O3'
OP1
OP2
O3'
OP1
OP2
6k1p 1 A0A310TTQ1 96.3 6e-92 EM
2019-05-29 ARG A:49 A:49 120.0 0.533 H -68.6 -33.6 120.0 0.533 0.0 DG
DA
DA
DT
DC
DG
DC
DC
DT
DC
9.289
6.648
3.316
3.306
8.449
7.878
6.256
7.971
6.338
7.673
NH1
NH2
CD
CD
CG
NH2
NH2
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP1
OP1
OP2
O3'
C5'
OP1
ARG E:49 E:49 125.0 0.556 H -65.5 -40.5 125.0 0.556 0.0 DT
DC
DC
DT
DG
DT
DA
DG
DT
DG
9.006
7.125
8.009
6.739
3.807
4.491
8.502
9.525
7.463
5.516
NH1
NH1
NH1
NH1
CD
CD
O
NH2
NH2
NH2
O3'
C4'
OP1
O3'
O3'
OP1
OP1
O3'
C3'
OP2
6kiu 1 A0A310TTQ1 96.3 6e-92 EM
2019-09-11 ARG A:49 A:49 114.0 0.507 H -77.6 -23.2 114.0 0.507 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
9.023
8.129
6.655
8.195
9.556
5.183
3.408
4.468
8.448
9.607
7.201
5.353
NH1
NH1
NH1
NH1
NH1
NH2
NH1
CD
O
N
NH2
NH2
C2
O3'
C5'
OP1
C2
O3'
C5'
OP1
OP1
O3'
O3'
OP2
ARG E:49 E:49 116.0 0.516 H -77.7 -23.2 116.0 0.516 0.0 DG
DA
DA
DT
DC
DG
DC
DT
DC
DT
DC
8.119
5.004
4.016
3.851
9.579
7.292
5.496
9.299
8.029
6.530
8.023
NH1
NH2
NH1
CD
O
NH2
NH2
NH1
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP2
O3'
OP2
O2
O2
C5'
OP1
6kiv 1 A0A310TTQ1 96.3 6e-92 EM
2019-09-11 ARG A:49 A:49 130.0 0.578 H -71.4 -28.4 130.0 0.578 0.0 DA
DT
DC
DC
DT
DG
DT
DA
DG
DT
DG
9.524
8.881
6.769
8.384
5.732
2.568
3.104
9.417
8.894
7.162
7.345
NH1
NH1
NH1
NH1
NH1
NH2
NH2
NH2
CG
CG
NH1
C2
C4'
C4'
OP1
O3'
O3'
OP1
OP2
O3'
OP2
OP1
ARG E:49 E:49 127.0 0.564 H -71.4 -28.4 127.0 0.564 0.0 DG
DA
DA
DT
DC
DG
DC
DT
DC
DT
DC
8.322
6.059
2.328
2.893
8.433
8.253
7.837
9.051
8.346
7.347
8.274
NH1
NH1
NH2
NH2
NH2
CG
NH1
NH1
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP1
OP2
OP2
O2
O2
C4'
OP1
6kiw 1 A0A310TTQ1 96.3 6e-92 EM
2019-09-11 ARG A:49 A:49 144.0 0.64 H -81.4 144.0 144.0 0.64 0.0 DT
DC
DC
DT
DG
DT
DA
DG
DT
DG
8.456
6.823
8.587
6.925
3.226
3.424
9.776
8.147
6.027
6.177
CD
CD
CD
NH2
NH2
NE
NH2
O
O
NH1
O3'
C5'
OP1
O3'
O3'
OP1
OP2
O3'
OP2
OP2
ARG E:49 E:49 140.0 0.622 H -81.4 144.0 140.0 0.622 0.0 DA
DA
DT
DC
DC
DG
DC
DC
DT
DC
6.038
3.033
3.187
9.376
9.244
7.122
6.376
8.705
7.709
9.113
NH2
NH2
NE
CB
O
O
NH1
CD
CD
CD
O3'
O3'
OP1
OP1
O3'
OP2
OP2
C4'
OP1
OP1
6kix 1 A0A310TTQ1 96.3 6e-92 EM
2019-09-11 ARG A:49 A:49 138.0 0.613 H -74.9 -24.1 138.0 0.613 0.0 DA
DT
DC
DC
DT
DG
DT
DA
DG
DT
DG
9.573
8.536
7.829
9.554
6.300
3.937
5.098
9.957
9.671
7.452
5.756
NH1
NH1
NH1
NE
NH1
NH1
NH1
O
N
N
NH2
C2
O4'
C5'
OP1
O3'
C4'
OP1
OP1
O3'
OP2
OP2
ARG E:49 E:49 136.0 0.604 H -75.0 -24.0 136.0 0.604 0.0 DG
DA
DA
DT
DC
DG
DC
DT
DC
DT
DC
8.761
5.155
2.979
3.452
9.909
7.707
5.968
9.477
8.519
7.640
9.141
NH1
NH2
NH1
CD
O
NH2
NH2
NH1
NH1
NH1
CZ
N2
O3'
O3'
OP1
OP1
O3'
OP2
O2
O2
C4'
OP1
6kiz 1 A0A310TTQ1 96.3 6e-92 EM
2019-09-11 ARG A:49 A:49 117.0 0.52 H -73.5 -26.8 117.0 0.52 0.0 DA
DT
DC
DC
DT
DG
DT
DA
DG
DT
DG
DC
9.719
8.612
7.407
8.639
6.063
3.445
4.626
8.775
9.449
6.997
5.272
9.712
NH1
NH1
NH1
NH1
NH1
NH1
CD
CB
NE
NH2
NH2
NH2
C2
O2
C5'
OP1
O3'
C4'
OP1
OP1
O3'
O3'
OP2
OP2
ARG E:49 E:49 120.0 0.533 H -73.4 -26.8 120.0 0.533 0.0 DG
DA
DA
DT
DC
DG
DC
DT
DC
DT
DC
9.039
5.725
3.516
3.341
9.531
7.277
5.472
9.747
8.757
7.287
8.112
NH1
NH1
NH1
CD
CB
NH2
NH2
NH1
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP2
O2
O3'
C5'
OP1
6nn6 1 P84233 96.3 6e-92 EM
2019-02-13 ARG A:49 A:49 125.0 0.556 H -85.2 -21.7 125.0 0.556 0.0 DA
DT
DC
DG
DT
DG
DT
DA
DG
DT
DG
9.993
8.636
6.337
7.301
6.269
3.550
3.330
8.600
9.872
7.131
5.456
CD
CD
NH1
NH1
NH2
CD
CG
CG
N
NH2
NH2
C2
O3'
C5'
OP1
O3'
O3'
OP1
OP1
O3'
O3'
OP2
ARG E:49 E:49 123.0 0.547 H -98.8 -29.7 123.0 0.547 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DG
8.099
6.634
3.669
3.129
8.475
9.586
7.512
6.544
9.138
7.032
5.974
7.959
NH1
NH2
NE
NE
CG
N
N
NH2
NH1
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O2
O3'
C4'
OP1
6nog 1 P84233 96.3 6e-92 EM
2019-02-20 ARG A:49 A:49 131.0 0.582 H -65.4 -34.0 131.0 0.582 0.0 DG
DA
DA
DT
DC
DG
DC
DT
DC
DT
DC
7.172
6.133
3.810
3.349
8.694
7.748
6.989
7.379
5.291
4.687
7.632
NH1
NH2
NE
CG
CG
N
NH2
NH1
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP1
OP1
OP2
O2
O3'
C5'
OP1
ARG B:49 E:49 113.0 0.502 H -64.3 -38.0 113.0 0.502 0.0 DA
DT
DC
DC
DG
DA
DT
DG
DT
DA
DG
DT
DG
8.058
6.742
5.184
7.749
9.573
8.550
5.853
3.855
3.480
9.760
9.416
7.231
6.353
NH2
NH2
NH2
NH2
NH2
NH2
NH1
NE
CG
CG
N
N
NH1
C2
O3'
C5'
OP1
N2
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
6o96 1 P84233 96.3 6e-92 EM
2019-04-24 ARG A:49 A:49 118.0 0.524 H -68.8 -37.8 118.0 0.524 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DG
DT
DC
DT
DC
7.604
5.465
3.700
3.271
8.426
9.378
6.744
4.831
9.488
9.587
7.823
6.439
8.584
NH1
NH1
NE
CG
CG
N
NH2
NH2
NH2
NH1
CD
NH1
NH1
N2
O3'
O3'
OP1
P
O3'
O3'
OP2
OP2
O2
O3'
C4'
OP1
ARG E:49 E:49 132.0 0.587 H -70.1 -31.9 132.0 0.587 0.0 DA
DT
DC
DC
DT
DG
DT
DA
DG
DT
DG
8.763
7.814
6.181
8.484
5.590
3.357
3.345
8.757
9.231
6.989
5.034
CD
CD
NE
NE
NH2
NH1
NH1
O
N
N
NH2
C2
C4'
C5'
OP1
O3'
O3'
OP1
OP1
O3'
OP1
OP2
6om3 1 P84233 96.3 6e-92 X-RAY
2019-07-10 ARG A:49 A:49 107.0 0.476 H -64.8 -39.2 107.0 0.476 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DG
DT
DC
DT
DC
7.366
5.295
3.494
3.945
8.349
9.000
6.295
4.561
9.905
8.638
7.347
5.925
7.823
NH1
NH1
CD
CG
O
NH2
NH2
NH2
NH2
NH1
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
O2
O2
C4'
OP1
ARG E:49 E:49 114.0 0.507 H -63.0 -40.7 114.0 0.507 0.0 DA
DT
DC
DC
DT
DG
DT
DA
DG
DT
DG
8.763
7.918
6.820
8.112
5.516
3.143
3.674
7.699
9.046
6.812
4.780
CD
CD
NE
NH2
NH2
NH1
NH1
O
NH2
NH2
NH2
C2
O3'
C4'
OP1
O3'
O3'
OP1
OP1
O3'
OP1
OP2
ARG M:49 M:49 106.0 0.471 H -60.5 -42.5 NA NA NA
ARG Q:49 Q:49 118.0 0.524 H -64.0 -36.5 NA NA NA
6pa7 1 P84233 96.3 6e-92 EM
2020-06-17 ARG A:49 A:49 109.0 0.484 H -64.7 -39.2 109.0 0.484 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
6.469
5.291
3.407
3.421
9.105
9.266
6.861
6.196
7.958
6.308
4.458
6.493
NH2
NH1
NH1
CG
O
N
N
NH1
NH2
NH2
NH2
NH2
N2
O3'
C4'
OP1
OP1
O3'
OP1
OP2
O2
O2
C4'
OP1
ARG E:49 E:49 115.0 0.511 H -64.5 -39.4 115.0 0.511 0.0 DA
DT
DC
DC
DG
DA
DT
DG
DT
DA
DG
DT
DG
7.812
6.332
4.527
6.826
9.339
7.971
5.248
3.356
3.351
8.493
9.388
6.948
6.621
NH2
NH2
NH2
NH2
NH2
NH2
NH1
NH1
CG
O
N
N
NH1
C2
O2
C5'
C5'
N2
C2
O3'
C5'
OP1
OP1
O3'
OP1
OP1
6r1u 1 P84233 96.3 6e-92 EM
2019-04-24 ARG A:49 A:49 121.0 0.538 H -64.0 -41.0 121.0 0.538 0.0 DC
DT
DC
DG
DA
DA
DT
DC
DC
DG
DC
8.313
6.155
7.135
8.966
6.135
3.535
3.260
8.904
9.945
7.681
5.871
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
N
NH2
O3'
C4'
OP1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
ARG E:49 E:49 128.0 0.569 H -63.0 -34.9 128.0 0.569 0.0 DA
DT
DG
DT
DA
DG
DT
DG
DT
DC
DC
9.758
6.693
3.452
3.289
8.887
9.616
7.638
5.760
8.641
6.114
6.911
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH1
NH1
NH1
C2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
O3'
C4'
OP1
6r25 4 A0A310TTQ1 96.3 6e-92 EM
2019-04-24 ARG D:49 A:49 118.0 0.524 H -64.1 -40.9 118.0 0.524 0.0 DC
DT
DC
DG
DA
DA
DT
DC
DC
DG
DC
8.312
6.154
7.135
8.966
6.134
3.536
3.261
8.904
9.945
7.681
5.870
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
N
NH2
O3'
C4'
OP1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
ARG H:49 E:49 129.0 0.573 H -63.1 -34.8 129.0 0.573 0.0 DA
DT
DG
DT
DA
DG
DT
DG
DT
DC
DC
9.759
6.693
3.451
3.289
8.886
9.615
7.637
5.759
8.641
6.115
6.911
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH1
NH1
NH1
C2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
O3'
C4'
OP1
6t9l 1 P84233 96.3 6e-92 EM
2020-01-29 ARG A:49 A:49 115.0 0.511 H -62.7 -45.7 115.0 0.511 0.0 DA
DT
DC
DG
DT
DG
DT
DA
DG
DT
DG
9.989
8.275
6.564
7.860
6.697
3.721
3.356
8.866
9.467
7.097
5.575
CD
NH1
NH1
NH1
NH2
CD
CD
CG
NH2
NH2
NH2
C2
O3'
C5'
OP1
O3'
O3'
OP1
OP1
O3'
O3'
OP2
ARG E:49 E:49 114.0 0.507 H -62.8 -43.7 114.0 0.507 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DG
9.091
6.768
3.506
3.230
8.717
8.944
6.819
5.504
9.920
7.588
5.967
7.484
NH1
NH2
CD
CD
CG
NH2
NH2
NH2
CD
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
O2
O3'
C5'
OP1
6tda 1 P84233 96.3 6e-92 EM
2020-03-18 ARG A:49 A:49 120.0 0.533 H -60.9 -44.1 120.0 0.533 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DG
7.340
5.605
3.923
3.781
9.096
9.680
7.237
5.704
8.636
6.488
5.216
7.810
NH1
NH2
NE
CD
O
N
NH2
NH2
NH1
CD
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
O2
O3'
C5'
P
ARG E:49 E:49 117.0 0.52 H -61.2 -42.4 117.0 0.52 0.0 DG
DT
DG
9.194
7.154
5.371
NH2
NH2
NH2
O3'
OP1
OP2
6uxw 1 P84233 96.3 6e-92 EM
2020-03-18 ARG A:49 R:49 116.0 0.516 H -60.4 -36.1 116.0 0.516 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DC
DT
DG
9.842
6.946
3.436
3.230
8.886
8.946
6.542
4.740
8.536
6.820
7.586
NH1
NH2
CD
CD
CG
NH2
NH2
NH2
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
O3'
C5'
OP1
ARG E:49 V:49 117.0 0.52 H -60.5 -36.0 117.0 0.52 0.0 DA
DT
DC
DG
DT
DG
DT
DA
DG
DT
DG
9.717
8.988
6.986
7.299
6.500
3.393
3.324
9.467
8.856
6.879
5.344
CD
NH1
NH1
NH1
NH2
CD
CG
CG
NH2
NH2
NH2
C2
O3'
C4'
OP1
O3'
O3'
OP1
OP2
O3'
OP1
OP2
6wz5 1 P84233 96.3 6e-92 EM
2020-09-16 ARG A:49 A:49 112.0 0.498 H -59.8 -46.6 112.0 0.498 0.0 DT
DC
DT
DC
DG
DA
DA
DT
DC
DC
DG
DC
DG
9.468
7.582
5.892
7.245
8.048
5.045
3.451
3.177
8.735
9.198
6.735
4.821
9.745
NH1
NH1
NH1
NH1
NH1
NH2
CD
CG
CG
N
NH2
NH2
NH2
O2
O3'
C4'
OP1
N2
O3'
O3'
OP1
P
O3'
C3'
OP2
OP2
ARG E:49 E:49 114.0 0.507 H -59.3 -43.4 114.0 0.507 0.0 DA
DT
DG
DT
DA
DG
DT
DG
DA
DT
DC
DC
9.024
5.204
3.504
3.213
8.556
9.083
6.828
4.887
9.109
7.709
5.839
7.135
NH1
NH2
CD
CG
CG
N
N
NH2
NH1
NH1
NH1
NH1
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
C2
O3'
C4'
OP1
6wz9 1 P84233 96.3 6e-92 EM
2020-09-16 ARG A:49 A:49 123.0 0.547 H -59.7 -47.5 123.0 0.547 0.0 DC
DT
DC
DG
DA
DA
DT
DC
DC
DG
DC
DG
8.460
6.804
7.729
8.717
5.458
3.429
3.303
8.573
8.897
6.292
4.198
9.121
CD
NH1
NH1
NH1
NH2
CD
CG
O
N
NH2
NH2
NH2
O3'
C4'
OP1
N2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
OP2
ARG E:49 E:49 122.0 0.542 H -59.3 -43.7 122.0 0.542 0.0 DA
DT
DG
DT
DA
DG
DT
DG
DA
DT
DC
DC
9.020
4.970
3.307
3.239
8.490
8.893
6.644
5.084
8.846
7.612
6.013
7.665
NH1
NH2
CD
CG
O
N
N
NH2
NH1
NH1
NH1
NH1
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
C2
O3'
C4'
OP1
6x0n 1 P84233 96.3 6e-92 EM
2020-09-16 ARG A:49 A:49 103.0 0.458 H -59.4 -46.0 103.0 0.458 0.0 DT
DC
DT
DC
DG
DA
DA
DT
DC
DC
DG
DC
DG
8.257
6.307
4.817
6.578
6.438
4.749
3.200
3.304
7.911
8.795
6.140
4.168
8.832
NH1
NH1
NH1
NH1
NH1
NH2
NH2
CG
CG
N
NH2
NH2
NH2
O2
O2
C4'
OP1
N2
O3'
C5'
OP1
P
O3'
C3'
OP2
OP2
ARG E:49 E:49 103.0 0.458 H -58.9 -42.7 103.0 0.458 0.0 DG
DA
DT
DG
DT
DA
DG
DT
DG
DA
DT
DC
DC
9.702
8.142
4.754
3.133
3.242
7.996
8.520
6.585
4.663
8.110
6.281
4.524
6.575
NH1
NH1
NH2
NH2
CG
CG
N
NH2
NH2
NH1
NH1
NH1
NH1
N2
C2
O3'
C5'
OP1
OP1
O3'
C3'
OP2
C2
O3'
C4'
OP1
ARG K:49 a:49 103.0 0.458 H -59.1 -46.4 103.0 0.458 0.0 DT
DC
DT
DC
DG
DA
DA
DT
DC
DC
DG
DC
DG
8.825
7.074
5.558
7.204
7.503
5.232
2.984
2.991
7.569
8.102
5.881
3.900
8.392
NH1
NH1
NH1
NH1
NH1
NH2
NE
NE
CG
N
NH2
NH2
NH2
O2
O3'
C4'
OP1
N2
O3'
O3'
OP1
P
O3'
C3'
OP2
OP2
ARG O:49 e:49 112.0 0.498 H -58.9 -43.3 112.0 0.498 0.0 DG
DA
DT
DG
DT
DA
DG
DT
DG
DC
DA
DT
DC
DC
9.733
7.934
4.946
3.190
3.698
7.843
8.221
6.253
4.227
9.437
7.889
6.712
5.353
6.926
NH1
NH1
NH2
NH2
CG
O
N
N
NH2
NH2
NH1
NH1
NH1
NH1
N2
C2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
OP2
C2
O2
C4'
OP1
7at8 3 P84233 96.3 6e-92 EM
2020-12-09 ARG C:49 D:49 106.0 0.471 H -62.5 -45.4 106.0 0.471 0.0 DA
DC
DA
DT
DG
DT
DA
DT
DA
DG
DT
DG
9.814
8.818
6.575
8.311
9.785
6.497
3.401
3.336
8.651
9.033
6.840
5.335
CD
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
NH2
NH2
NH2
C2
O3'
C4'
OP1
N2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
ARG G:49 H:49 114.0 0.507 H -62.4 -45.1 114.0 0.507 0.0 DA
DA
DT
DC
DC
DG
DC
DC
DT
DC
7.784
3.421
3.100
8.088
8.965
6.834
5.506
7.625
6.089
7.227
NH2
NE
CD
CG
NH2
NH2
NH2
NH1
NH1
NH1
O3'
O3'
OP1
OP1
O3'
C3'
OP2
O3'
O5'
OP1
7e8i 3 A0A310TTQ1 96.3 6e-92 EM
2021-06-30 ARG C:49 A:49 126.0 0.56 H -66.5 -27.5 126.0 0.56 0.0 DA
DT
DG
DT
DA
DG
DT
DG
DT
DC
DC
9.712
5.238
3.371
3.506
9.798
8.967
7.016
5.462
8.839
7.316
8.038
NH1
NH1
NH1
CG
O
N
N
NH2
CD
NH1
NH1
N3
O3'
C5'
OP1
OP2
O3'
OP1
OP2
O3'
C4'
OP1
ARG G:49 E:49 108.0 0.48 H -70.4 -19.6 108.0 0.48 0.0 DT
DC
DT
DC
DG
DA
DA
DT
DC
DG
DC
8.464
5.974
3.981
6.278
8.268
6.329
3.561
4.772
9.844
7.457
7.103
NH1
NH2
NH2
NH2
NH2
NH2
NH1
NH1
CG
N
NE
O2
O3'
C5'
OP1
N2
O3'
C4'
OP1
O3'
OP1
OP2
7oh9 1 P84233 96.3 6e-92 EM
2021-07-28 ARG A:49 A:49 113.0 0.502 H -68.5 -32.3 113.0 0.502 0.0 DT
DC
DG
DG
DA
DT
DG
DT
DG
DT
DG
8.778
7.429
8.505
9.013
7.343
3.681
3.286
7.693
9.441
7.266
5.611
NH1
NH1
NH1
NH1
NH2
NE
CD
CG
N
N
NH2
O2
C4'
C5'
N2
O3'
O3'
OP1
P
O3'
OP1
OP2
ARG E:49 E:49 108.0 0.48 H -63.1 -41.2 108.0 0.48 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DG
DT
DC
DT
DG
7.754
5.336
3.516
3.647
9.333
9.247
6.576
4.878
9.949
9.301
7.364
5.626
6.868
NH1
NH2
CD
CG
CG
N
NH2
NH2
NH2
CD
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
O2
O3'
C4'
OP1
7oha 1 P84233 96.3 6e-92 EM
2021-07-28 ARG A:49 A:49 129.0 0.573 H -61.8 -43.9 129.0 0.573 0.0 DG
DT
DG
9.203
7.057
5.212
N
N
NH2
O3'
OP1
OP2
ARG E:49 E:49 110.0 0.489 H -62.6 -40.9 110.0 0.489 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DG
7.973
5.519
3.557
3.914
8.750
9.085
6.599
4.957
9.302
7.212
5.432
7.010
NH1
NH2
NH2
CG
CG
NH2
NH2
NH2
CD
NH1
NH1
NH1
N2
O3'
C5'
OP1
OP1
O3'
C3'
OP2
O2
O3'
C5'
OP1
7ohb 1 P84233 96.3 6e-92 EM
2021-07-28 ARG A:49 A:49 121.0 0.538 H -66.4 -36.3 121.0 0.538 0.0 DT
DC
DG
DG
DA
DT
DG
DT
DG
DT
DG
8.678
6.841
8.344
9.914
8.712
4.932
3.160
7.355
9.697
7.460
5.966
NH1
NH1
NH1
NH1
NH1
NE
NE
CG
N
N
NH2
O2
C5'
C5'
N2
N3
O3'
OP1
OP1
O3'
OP1
OP2
ARG E:49 E:49 101.0 0.449 H -67.6 -34.7 101.0 0.449 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DG
7.762
5.378
3.343
3.170
8.236
9.923
7.582
5.941
8.340
6.800
5.565
7.234
NH1
NH2
NE
NE
CG
N
N
NH2
NH1
NH1
NH1
NH1
N2
O3'
O3'
OP1
P
O3'
OP1
OP2
O2
O3'
C4'
OP1
7ohc 1 P84233 96.3 6e-92 EM
2021-07-28 ARG A:49 A:49 114.0 0.507 H -61.9 -43.3 114.0 0.507 0.0 DA
DT
DC
DG
DA
DT
DG
DT
DA
DG
DT
DG
DC
9.835
8.035
6.116
6.964
9.091
5.852
3.505
3.668
8.200
9.168
6.826
5.030
9.938
CD
CD
NH1
NH1
NH1
NH2
NH2
NE
O
N
NH2
NH2
NH2
C2
O3'
C4'
OP1
C2
O3'
C5'
OP1
OP1
O3'
O3'
OP2
OP2
ARG E:49 E:49 102.0 0.453 H -62.8 -40.1 102.0 0.453 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DG
7.842
5.456
3.509
3.700
8.186
9.204
6.788
5.176
8.809
7.099
5.282
6.741
NH1
NH2
NE
CG
CG
NH2
NH2
NH2
CD
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
O2
O3'
C5'
OP1
3x1s 1 P68431 96.3 7e-92 X-RAY
2015-09-23 ARG A:49 A:49 98.0 0.436 H -55.9 -54.5 98.0 0.436 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
8.888
7.327
5.548
6.473
9.082
5.099
3.420
3.129
9.085
9.108
6.880
5.647
NH2
NH2
NH2
NH2
NH2
NH1
NH1
CD
CG
N
N
NH1
O2
O3'
C4'
OP1
O2
O3'
C5'
OP1
OP2
O3'
OP1
OP2
ARG E:49 E:49 106.0 0.471 H -52.6 -49.6 106.0 0.471 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
9.408
6.714
2.926
3.119
7.955
9.167
6.891
7.214
7.898
6.297
4.569
6.267
NH2
NH1
NH1
CG
O
N
N
NE
NH1
NH2
NH2
NH2
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
C2
O3'
C5'
OP1
3x1t 2 P68431 96.3 7e-92 X-RAY
2015-09-23 ARG C:49 A:49 100.0 0.444 H -51.0 -51.0 100.0 0.444 0.0 DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
HOH
7.713
6.912
8.143
9.822
5.433
3.739
3.006
9.690
8.989
6.046
4.578
9.233
6.976
CG
CG
NH2
NH2
NH2
NH1
CD
O
NH2
NH2
NH2
NH2
O
O3'
OP1
OP1
O2
O3'
OP1
OP1
OP1
O3'
O3'
OP2
OP2
O
ARG G:49 E:49 112.0 0.498 H -57.0 -41.5 112.0 0.498 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.049
5.676
3.440
3.101
8.429
8.985
6.850
5.216
9.414
7.579
5.806
6.651
3.763
NH2
NH1
NE
CG
CG
N
N
NH1
NH2
NH2
NH2
NH2
CA
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O2
C4'
OP1
O
3x1u 2 P68431 96.3 7e-92 X-RAY
2015-09-23 ARG C:49 A:49 152.0 0.676 H -51.7 -36.6 152.0 0.676 0.0 DA
DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
8.658
6.259
5.332
4.927
8.051
9.737
6.449
2.970
2.835
7.149
9.325
6.840
7.996
NH2
NH2
NH2
NH1
NH1
NH1
NH1
CZ
NE
NH2
N
N
CD
C2
O2
O3'
C5'
OP1
O2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
ARG G:49 E:49 105.0 0.467 H -49.3 -40.0 105.0 0.467 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
8.777
5.951
3.549
3.309
8.434
9.275
6.978
5.818
7.864
6.187
4.603
6.566
NH2
NH1
NE
CG
O
N
N
NH1
NH2
NH2
NH2
NH2
N3
O3'
O3'
OP1
OP1
O3'
OP1
OP1
C2
O3'
C4'
OP1
3x1v 2 P68431 96.3 7e-92 X-RAY
2015-09-23 ARG C:49 A:49 101.0 0.449 H -75.1 -43.0 101.0 0.449 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
9.043
6.971
5.691
7.004
9.180
5.582
3.379
3.430
7.372
9.213
6.913
5.234
9.287
CD
NH1
NH1
NH1
NH1
NH2
NE
NE
O
N
N
NH2
NH2
O2
O3'
C5'
OP1
O2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
OP2
ARG G:49 E:49 104.0 0.462 H -72.6 -40.8 104.0 0.462 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DC
DA
DT
DT
DG
MN
HOH
8.846
5.253
3.420
3.591
7.551
9.125
6.818
5.437
9.974
8.641
7.180
5.495
6.864
9.972
3.254
NH1
NH2
NE
CD
O
N
NH2
NH2
NH2
NH1
NH1
NH1
NH1
NH2
O
C2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
OP2
C2
O3'
C4'
OP1
MN
O
5gsu 1 P68431 96.3 7e-92 X-RAY
2017-02-15 ARG A:49 A:49 114.0 0.507 H -55.6 -49.2 114.0 0.507 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
HOH
9.715
7.382
5.499
6.686
9.179
5.143
3.451
2.887
9.516
8.947
6.430
4.946
9.360
8.320
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH2
NH2
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
O
ARG B:49 E:49 108.0 0.48 H -55.2 -51.5 108.0 0.48 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
MN
9.558
5.485
3.206
3.083
8.487
9.012
6.705
5.025
9.240
7.345
5.614
6.546
8.866
NH1
NH2
CD
CG
O
N
NH2
NH2
NH1
NH1
NH1
NH1
NH2
C2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
C2
O3'
C4'
OP1
MN
5gt0 1 P68431 96.3 7e-92 X-RAY
2017-02-15 ARG A:49 A:49 104.0 0.462 H -62.0 -36.9 104.0 0.462 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
8.867
6.714
4.760
6.288
8.940
5.674
3.248
3.009
8.210
9.063
6.852
5.937
NH2
NH2
NH2
NH2
NH2
NH1
CD
CD
O
N
N
NH1
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
ARG B:49 E:49 101.0 0.449 H -59.8 -38.2 101.0 0.449 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
8.555
6.048
3.322
3.130
8.343
8.859
6.599
5.754
8.977
6.573
4.604
6.273
9.111
NH2
NH1
CD
CG
O
N
N
NH1
NH2
NH2
NH2
NH2
O
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
C2
O3'
C4'
OP1
O
5gt3 1 P68431 96.3 7e-92 X-RAY
2017-02-15 ARG A:49 A:49 114.0 0.507 H -63.4 -39.1 114.0 0.507 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
9.576
7.437
5.724
6.690
9.037
5.238
3.457
2.893
9.361
9.146
6.678
5.269
9.568
CD
CD
NH1
NH1
NH1
NH2
CD
CD
CD
N
NH2
NH2
NH2
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP1
O3'
O3'
OP1
OP2
ARG E:49 E:49 117.0 0.52 H -63.2 -42.0 117.0 0.52 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
9.474
5.519
3.211
3.194
8.765
8.961
6.824
5.392
9.699
7.500
6.105
6.922
NH1
NH2
NE
CD
O
N
N
NH2
NH1
CD
NH1
NH1
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
C2
O3'
C4'
OP1
7bwd 5 P68431 96.3 7e-92 EM
2021-04-14 ARG E:49 E:49 136.0 0.604 H -86.2 -34.5 136.0 0.604 0.0 DA
DT
DC
DC
DG
DA
DT
DG
DT
DA
DT
DG
8.001
5.796
4.932
7.666
8.502
7.024
4.100
3.389
4.343
9.118
8.220
7.064
NH2
NH2
NH2
NH2
NH2
NH2
NH1
NH1
CD
O
N
NH1
C2
O2
C4'
P
N2
C2
O3'
OP1
OP1
OP1
OP1
OP2
ARG F:49 A:49 152.0 0.676 H -77.4 -45.6 152.0 0.676 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
6.627
5.285
3.347
5.018
8.193
9.862
7.747
7.692
7.543
6.362
6.137
6.445
NH2
NH2
NH1
CD
NH1
N
N
NE
NH1
NH2
NH2
NH2
N2
O3'
O4'
OP1
OP1
O3'
OP1
OP2
O2
O3'
C4'
OP1
6zhx 1 A0A310TTQ1 95.59 1e-91 EM
2020-12-23 ARG A:50 A:49 113.0 0.502 H -71.7 -35.0 113.0 0.502 0.0 DA
DT
DC
DG
DG
DA
DT
DG
DT
DA
DG
DT
DG
DC
7.748
6.409
4.155
5.997
9.409
8.117
5.179
2.791
2.811
8.113
7.922
5.118
4.184
9.500
HH11
HD3
HH11
HH12
HH12
HH12
HH22
HH21
HD2
HG3
H
HH22
HH22
HH22
H2
H4'
H5''
OP1
H21
H2
O3'
H5''
H5'
P
O3'
H3'
OP2
OP2
ARG E:50 E:49 113.0 0.502 H -67.9 -37.5 113.0 0.502 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DG
DT
DC
DT
DG
6.942
5.577
2.750
2.933
8.269
8.227
5.257
4.342
9.827
8.791
6.142
3.716
6.114
HH12
HH22
HH21
HD2
HD2
H
HH22
HH22
HH22
HD3
HD3
HH11
HH12
H22
O3'
H5''
H5'
H5'
O3'
H3'
OP2
OP2
O2
H4'
H5''
OP1
6zhy 1 A0A310TTQ1 95.59 1e-91 EM
2020-12-23 ARG A:50 A:49 103.0 0.458 H -61.5 -39.6 103.0 0.458 0.0 DG
DT
DG
8.073
5.892
8.467
H
H
HB3
O3'
OP1
OP2
ARG E:50 E:49 116.0 0.516 H -67.1 -33.1 116.0 0.516 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DG
DT
DC
DT
DG
6.730
5.517
2.874
2.898
8.258
8.284
5.313
4.323
9.958
9.165
6.122
3.373
6.242
HH12
HH22
CZ
HD2
HD2
H
HH22
HH22
HH22
HD3
HD3
HH11
HH12
H22
O3'
H4'
H5'
P
O3'
H3'
OP2
OP2
O2
O3'
H5''
OP1
7otq 2 P84233 95.59 1e-91 EM
2021-09-15 ARG B:50 A:49 121.0 0.538 H -60.1 -42.2 121.0 0.538 0.0 DA
DT
DC
DG
DA
DT
DG
DT
DA
DG
DT
DG
DC
7.096
7.220
4.994
7.674
9.186
5.595
2.998
2.364
8.159
8.543
6.311
5.773
9.897
HD3
HD3
HD3
HE
HD3
HH22
HH11
HH11
HD2
H
H
HH22
HH22
H2
H1'
H4'
O5'
H2
O3'
O3'
OP1
P
O3'
OP1
OP2
OP2
ARG F:50 E:49 110.0 0.489 H -60.7 -38.1 110.0 0.489 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DG
7.900
5.909
2.991
2.213
7.131
9.008
6.323
5.427
8.971
5.825
4.384
5.507
HH12
HH22
HH21
HE
HD2
H
HH22
HH22
HD3
HD3
HH11
HH12
H22
O3'
H5''
OP1
P
O3'
H3'
OP2
O2
H2''
H4'
OP1
6t90 5 P68431 96.27 1e-91 EM
2020-05-06 ARG E:53 E:50 126.0 0.56 H -63.3 -40.4 126.0 0.56 0.0 DC
DG
DC
9.960
7.930
7.005
N
N
NH1
O3'
OP1
OP1
6yov 5 P68431 96.27 1e-91 EM
2020-05-06 ARG E:53 E:50 105.0 0.467 H -64.6 -38.3 105.0 0.467 0.0 DC
DG
DC
9.367
7.236
5.468
N
N
NH2
O3'
OP1
OP2
4h9n 1 P84243 96.3 2e-91 X-RAY
2012-10-10 ARG A:49 A:49 155.0 0.689 H -62.4 -29.7 148.0 0.658 0.031 C:Q9UER7:0.031
PO4
PO4
HOH
4.242
7.492
2.651
N
N
O
O1
O1
O
4h9q 1 P84243 96.3 2e-91 X-RAY
2012-10-17 ARG A:49 A:49 153.0 0.68 H -62.1 -31.1 146.0 0.649 0.031 C:Q9UER7:0.031
PO4
PO4
HOH
7.535
4.316
2.619
N
N
O
O3
O3
O
3kxb 1 P84233 95.56 2e-91 X-RAY
2010-06-23 ARG A:49 A:49 155.0 0.689 H -69.4 -29.4 155.0 0.689 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DC
HOH
9.441
6.852
5.637
6.630
9.003
5.934
3.593
3.396
9.186
7.658
6.409
7.945
NH1
NH1
NH1
NH2
NH2
NH2
NH1
CD
O
CG
NH2
CG
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
OP1
OP2
O
ARG E:49 E:49 150.0 0.667 H -60.7 -40.4 150.0 0.667 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.499
6.127
3.145
2.919
8.822
9.482
6.765
5.580
9.136
6.849
6.081
6.505
3.744
NH1
NH2
CD
CD
O
NH2
NH2
NH2
NH1
NH1
NH1
NH2
NH2
C2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
C2
O3'
C4'
OP1
O
6x59 1 Q71DI3 96.3 2e-91 EM
2020-09-16 ARG A:49 A:49 108.0 0.48 H -61.0 -40.5 108.0 0.48 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
9.981
7.831
6.717
7.623
9.767
5.610
3.906
3.952
8.974
9.490
7.243
5.678
CD
CD
CD
NH1
NH1
NH1
NH1
CG
O
N
N
NH2
C2
O3'
C5'
OP1
N3
O3'
C5'
OP1
OP1
O3'
OP1
OP2
ARG E:49 E:49 108.0 0.48 H -61.1 -40.5 108.0 0.48 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DC
DT
DC
8.559
6.172
3.841
3.513
9.147
9.682
7.169
5.614
7.695
6.666
7.748
NH1
NH1
NH2
CG
CG
N
NH1
NH2
CD
CD
NH1
N2
O3'
O5'
OP1
OP1
O3'
O3'
OP2
O3'
C5'
OP1
6x5a 1 Q71DI3 96.3 2e-91 EM
2020-09-16 ARG A:49 A:49 120.0 0.533 H -61.5 -40.1 120.0 0.533 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
9.288
8.075
7.214
8.400
9.421
5.386
3.263
3.271
8.156
9.978
7.783
6.527
NH1
CD
NH1
NH1
NH1
NH1
NH1
NE
O
N
N
NH2
C2
O3'
C4'
OP1
C2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
ARG E:49 E:49 121.0 0.538 H -61.4 -40.2 121.0 0.538 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
8.527
6.012
3.795
3.843
8.581
9.744
7.431
6.115
9.561
7.829
7.114
8.619
NH1
NH1
NH2
NE
O
N
N
NH2
CD
CD
NH1
NH1
N2
O3'
O5'
OP1
OP1
O3'
OP1
OP2
O2
C4'
C4'
OP1
6xjd 1 Q71DI3 96.3 2e-91 EM
2020-09-16 ARG A:49 A:49 140.0 0.622 H -59.2 -40.1 140.0 0.622 0.0 DA
DT
DC
DC
DT
DG
DT
DA
DG
DT
DG
9.092
8.772
8.443
9.812
4.938
3.346
3.876
8.775
9.989
7.652
7.373
NH1
CD
CD
CD
NH1
NH1
NH2
O
CG
CG
NH1
C2
C4'
C5'
OP1
O3'
C5'
OP2
OP1
O3'
OP1
OP2
ARG E:49 E:49 141.0 0.627 H -59.1 -40.2 141.0 0.627 0.0 DG
DA
DA
DT
DC
DG
DC
DT
DC
DT
DC
8.248
3.987
2.715
3.989
9.420
8.012
7.392
9.901
8.705
8.504
9.813
NH1
NH1
NH1
CB
O
CG
NH1
CD
CD
CG
CG
N2
O3'
OP1
OP1
OP2
OP1
OP2
O2
O4'
C5'
OP1
7jzv 5 Q71DI3 96.3 2e-91 EM
2021-02-17 ARG E:49 P:49 159.0 0.707 H -66.3 -39.2 159.0 0.707 0.0 DT
DC
DT
DG
DA
DA
DT
DC
DC
DG
DC
8.980
7.201
5.396
8.276
5.970
4.195
4.544
9.147
9.156
6.785
5.981
CD
CD
NH1
NH1
NH2
NE
O
O
NH2
NH2
NH2
O2
C5'
C4'
N2
O3'
C4'
OP1
OP2
O3'
OP1
OP2
ARG K:49 p:49 170.0 0.756 H -64.9 -39.5 170.0 0.756 0.0 DT
DG
DT
DA
DG
DT
DG
DT
DC
6.577
3.246
3.142
9.440
9.808
7.551
6.446
8.217
6.163
NH1
NH2
NH2
O
N
N
NH1
CG
CG
O3'
O3'
OP1
OP2
O3'
OP1
OP2
O3'
OP1
6r1u 9 A0A310TTQ1 95.56 3e-91 EM
2019-04-24 ARG M:49 NA:NA DO NA DO DO DO NA NA NA
6r25 3 A0A310TTQ1 95.56 3e-91 EM
2019-04-24 ARG C:49 NA:NA DO NA DO DO DO NA NA NA
6vyp 1 A0A310TTQ1 95.56 3e-91 X-RAY
2020-05-27 ARG A:49 A:49 109.0 0.484 H -67.2 -34.3 109.0 0.484 0.0 DA
DT
DC
DC
DT
DG
DT
DA
DG
DT
DG
8.995
7.584
5.483
7.876
6.001
2.932
3.357
7.485
9.320
7.172
5.936
CD
NH1
NH1
NH1
NH2
NE
NE
CG
N
NH2
NH2
N3
C4'
C5'
OP1
O3'
O3'
OP1
OP1
O3'
OP1
OP2
ARG E:49 E:49 121.0 0.538 H -66.1 -33.4 121.0 0.538 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
9.170
6.679
2.851
3.080
7.615
9.334
7.076
5.737
9.803
8.020
5.953
7.259
NH1
NH2
NE
NE
CG
N
N
NH2
CD
NH1
NH1
NH1
N2
O3'
O3'
OP1
P
O3'
OP1
OP2
O2
O3'
C4'
OP1
ARG K:49 a:49 114.0 0.507 H -66.3 -34.7 NA NA NA
ARG O:49 e:49 122.0 0.542 H -66.2 -34.3 NA NA NA
5b1l 1 ? 94.12 3e-91 X-RAY
2017-02-15 ARG A:53 A:49 114.0 0.507 H -55.8 -42.6 114.0 0.507 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
HOH
8.812
7.172
5.703
6.845
9.100
5.570
3.378
3.829
7.221
9.024
6.752
4.953
9.575
3.786
CD
CD
NH1
NH1
NH1
NH2
NE
NE
O
N
NH2
NH2
NH2
N
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
OP2
O
ARG E:53 E:49 114.0 0.507 H -57.3 -41.6 114.0 0.507 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DC
DA
DT
DT
DG
HOH
9.041
5.231
3.162
3.392
7.743
9.009
6.905
5.224
9.994
9.045
7.287
5.955
6.951
2.474
NH1
NH2
NE
CG
O
N
N
NH2
NH2
CD
CD
NH1
NH1
NH1
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
OP2
C2
O3'
C4'
OP1
O
7e8d 1 P68431 95.56 4e-91 EM
2021-11-10 ARG A:49 A:49 97.0 0.431 H -56.2 -46.8 97.0 0.431 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DG
DC
DT
DC
8.918
5.160
3.848
3.250
9.369
9.152
6.094
4.380
9.742
7.819
6.847
7.701
NH2
NH2
CD
CD
O
NH2
NH2
NH2
NH2
CG
NE
NH2
N2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
O3'
C5'
OP1
ARG E:49 E:49 139.0 0.618 H -58.1 -45.7 34.0 0.151 0.467 K:O96028:0.467
DG
DT
DG
9.327
7.154
7.350
N
N
NH1
O3'
OP1
OP2
1zla 2 288992 95.56 6e-91 X-RAY
2006-02-28 ARG C:49 A:449 111.0 0.493 H -66.0 -48.7 111.0 0.493 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
DA
HOH
9.763
7.540
5.776
7.093
9.360
5.878
3.447
2.941
9.305
8.937
6.519
4.658
9.887
9.512
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CD
N
NH2
NH2
NH2
N
C2
O3'
C4'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP2
O
ARG G:49 E:649 109.0 0.484 H -62.6 -42.1 109.0 0.484 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DC
DA
DT
DT
DG
9.094
5.934
3.029
3.239
9.075
8.842
6.063
4.809
9.985
9.042
7.191
5.534
6.701
NH1
NH2
CD
CD
CD
NH2
NH2
NH2
NH2
NH1
NH1
NH1
NH1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP2
C2
O3'
C5'
OP1
3a6n 1 Q16695 93.38 7e-91 X-RAY
2010-05-26 ARG A:53 A:49 107.0 0.476 H -62.9 -43.2 107.0 0.476 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
DA
HOH
9.448
7.456
6.155
6.794
8.708
5.381
3.173
2.746
9.848
8.892
6.575
4.688
9.624
2.850
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH2
O
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
OP2
O
ARG E:53 E:49 113.0 0.502 H -62.8 -40.8 113.0 0.502 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DC
DA
DT
DT
DG
HOH
9.538
5.624
3.216
3.033
8.940
8.816
6.508
4.787
9.903
9.366
6.983
6.309
7.499
2.760
NH1
NH2
CD
CD
O
N
NH2
NH2
NH2
NH1
NH1
NH1
NH1
O
C2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
C2
O3'
C4'
OP1
O
3c1c 1 P02302 95.56 1e-90 X-RAY
2008-10-07 ARG A:49 A:449 91.0 0.404 H -83.8 -5.3 91.0 0.404 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
HOH
9.998
7.601
5.881
6.930
9.701
5.457
3.554
3.098
9.192
8.907
6.654
4.884
3.944
NH1
NH1
NH1
NH1
NH1
NH2
NH2
CD
O
N
N
NH2
O
C2
O3'
C5'
OP1
C2
O3'
C5'
OP1
OP2
O3'
OP1
OP2
O
ARG E:49 E:649 124.0 0.551 H -48.1 -39.8 124.0 0.551 0.0 DT
DA
DT
DC
DG
DA
DA
DT
DT
DG
HOH
5.547
3.015
3.808
9.572
9.072
6.782
5.755
6.960
6.700
7.239
3.517
NH2
NE
NE
O
NH1
NH1
NH1
CD
CD
NH1
O
O3'
O3'
OP1
OP2
O3'
OP1
OP2
O3'
OP1
OP1
O
5f99 1 P84233 95.56 1e-90 X-RAY
2016-02-03 ARG A:49 A:49 128.0 0.569 H -77.2 -39.1 128.0 0.569 0.0 DT
DT
DT
DG
DA
DA
DA
DC
DT
DC
DG
DA
HOH
9.298
8.285
7.449
8.154
9.369
5.911
3.237
2.861
9.406
9.188
6.889
6.584
5.967
CD
CD
NH1
NH1
NH1
NH2
NE
NE
CG
N
N
NH2
NH1
O2
O3'
C4'
OP1
C2
O3'
O3'
OP1
P
O3'
OP1
OP2
O
ARG E:49 E:49 115.0 0.511 H -58.4 -49.4 115.0 0.511 0.0 DG
DC
DA
DA
DC
DT
DT
DT
DG
DC
DA
DG
HOH
9.608
5.316
3.238
3.170
8.083
8.916
6.541
5.464
8.335
8.512
6.653
7.638
2.612
NH2
NH2
NH1
CG
O
N
N
NH2
NE
NE
NE
NH2
NH1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP1
N2
O3'
C4'
OP1
O
5omx 3 P84233 95.56 1e-90 X-RAY
2017-11-15 ARG C:49 A:49 113.0 0.502 H -66.3 -46.8 113.0 0.502 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DG
DA
DA
MN
9.593
7.271
6.113
6.657
9.240
5.531
3.304
3.005
9.207
8.998
6.867
5.284
9.231
NH1
CD
NH1
NH1
NH1
NH2
CD
CD
CD
N
N
NH2
NH2
C2
O3'
C4'
OP1
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
MN
ARG G:49 E:49 113.0 0.502 H -63.2 -38.9 113.0 0.502 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
MN
HOH
8.943
5.485
3.419
3.082
8.869
9.059
6.911
5.243
9.599
7.696
5.722
6.700
9.029
2.734
NH2
NH1
NE
CG
CG
N
N
NH1
NH2
NH2
NH2
NH2
NH1
O
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O2
C4'
OP1
MN
O
6s01 1 A0A310TTQ1 95.56 1e-90 EM
2019-12-18 ARG A:49 A:49 113.0 0.502 H -76.1 -31.8 113.0 0.502 0.0 DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
6.465
5.562
7.640
9.290
5.903
3.819
4.056
8.126
9.333
6.800
5.174
NH1
NH1
NH1
NH1
NH2
CD
CD
O
N
NH2
NH2
O2
C5'
OP1
C2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
ARG E:49 E:49 111.0 0.493 H -79.4 -31.0 111.0 0.493 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DG
DC
DT
DG
9.249
5.991
3.942
3.333
7.458
9.234
6.270
4.587
9.733
7.190
5.449
6.984
NH1
NH1
CD
CG
O
NH2
NH2
NH2
NH2
CD
NH1
NH1
N2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
O3'
C4'
OP1
4h9o 1 P84243 95.56 3e-90 X-RAY
2012-10-10 ARG A:49 A:49 117.0 0.52 H -59.2 -38.6 86.0 0.382 0.138 C:Q9UER7:0.138
PO4
PO4
HOH
4.207
7.440
2.829
CB
N
O
O4
O2
O
1m18 2 P02302 94.07 3e-90 X-RAY
2003-02-18 ARG C:49 A:449 116.0 0.516 H -55.2 -45.9 116.0 0.516 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
HOH
9.771
7.711
5.984
7.001
9.119
5.416
3.151
2.909
9.486
9.015
6.654
4.733
2.749
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
O
C2
O3'
C4'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
O
ARG G:49 E:649 118.0 0.524 H -58.4 -35.3 118.0 0.524 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DC
DA
DT
DT
DG
HOH
9.392
5.554
2.923
3.057
8.254
8.903
6.670
4.808
9.733
9.698
7.574
6.231
6.887
2.657
NH1
NH2
CD
CD
O
N
NH2
NH2
NH2
NH1
NH1
NH1
NH1
NH2
C2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
C2
O3'
C4'
OP1
O
1m19 2 P02302 94.07 3e-90 X-RAY
2003-02-18 ARG C:49 A:449 114.0 0.507 H -69.6 -40.0 114.0 0.507 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
HOH
9.511
7.149
6.033
6.790
8.871
5.505
3.506
3.313
9.838
9.057
7.048
5.158
2.702
NH1
CD
NH1
NH1
NH1
NH2
CD
CD
CD
N
NH2
NH2
O
C2
O3'
C4'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
O
ARG G:49 E:649 121.0 0.538 H -61.2 -33.8 121.0 0.538 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.140
5.677
3.663
2.983
8.625
9.019
6.955
5.267
9.405
7.211
6.587
7.077
2.440
NH1
NH1
NH1
CD
O
N
N
NH2
NH1
CD
NH1
NH1
O
C2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
C2
O3'
C4'
OP1
O
1m1a 2 P02302 94.07 3e-90 X-RAY
2003-02-18 ARG C:49 A:449 106.0 0.471 H -69.6 -44.2 106.0 0.471 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DG
DA
DA
DC
HOH
8.881
7.574
5.857
7.161
8.865
5.686
3.405
3.505
8.960
8.864
6.361
4.642
9.653
4.712
NH1
NH1
NH1
NH1
NH1
NH2
NH1
CG
CG
N
NH2
NH2
NH2
O
C2
O2
C4'
OP1
C2
O3'
C4'
OP1
P
O3'
C3'
OP2
OP2
O
ARG G:49 E:649 110.0 0.489 H -62.0 -42.2 110.0 0.489 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
DA
DT
DT
DG
PYB
ABU
PYB
HOH
9.511
5.332
3.413
3.601
7.742
8.892
6.712
5.309
9.988
9.581
8.844
8.353
7.722
7.939
4.867
6.388
4.564
NH1
NH2
CZ
CG
O
N
N
NH2
NH2
NH1
NH1
NH1
NH1
CD
NH1
CD
O
N3
O3'
C4'
OP1
OP1
O3'
OP1
OP2
OP2
C2
O2
O3'
OP1
O
CG
N
O
4h9s 1 P84243 94.81 3e-90 X-RAY
2012-10-17 ARG A:49 A:49 156.0 0.693 H -58.9 -44.3 156.0 0.693 0.0 PO4
HOH
6.655
3.873
CA
O
O4
O
ARG B:49 B:49 158.0 0.702 H -60.2 -42.8 NA NA NA
7cro 1 Q92133 94.81 4e-90 EM
2020-10-21 ARG A:49 M:49 146.0 0.649 H -76.7 -44.1 56.0 0.249 0.4 K:O96028:0.4
DG
DC
8.052
7.991
N
NH1
OP1
OP2
ARG E:49 E:49 135.0 0.6 T -95.7 -0.6 135.0 0.6 0.0 DT
DC
DC
DT
DG
DT
DA
DG
DT
DG
7.921
6.894
8.320
5.828
3.887
4.158
9.704
9.755
7.687
6.417
CD
CD
NH1
NH1
NH1
NE
O
N
N
NH2
O3'
C5'
OP1
O3'
C5'
OP1
OP2
O3'
OP1
OP2
7crp 1 Q92133 94.81 4e-90 EM
2020-10-21 ARG A:49 M:49 144.0 0.64 H -78.6 -31.5 44.0 0.196 0.444 K:Q9BZ95:0.444
DG
DC
7.997
7.950
N
NH1
OP1
OP2
ARG E:49 E:49 119.0 0.529 H -97.3 0.3 119.0 0.529 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DT
DG
9.675
7.743
6.240
7.723
9.647
5.415
3.689
4.100
9.889
7.637
5.722
NH1
NH1
NH1
NH1
NH1
NH2
NH2
CD
O
NH2
NH2
C2
O3'
C4'
OP1
C2
O3'
C5'
OP1
OP2
O3'
OP2
7crq 1 Q92133 94.81 4e-90 EM
2020-10-21 ARG A:49 M:49 146.0 0.649 H -79.9 -34.9 41.0 0.182 0.467 K:Q9BZ95:0.467
DG
DC
7.930
8.225
N
NH1
OP1
OP2
ARG E:49 E:49 143.0 0.636 T -96.1 -24.0 38.0 0.169 0.467 L:Q9BZ95:0.467
DT
DG
8.086
8.163
N
NH1
OP1
OP2
7crr 1 Q92133 94.81 4e-90 EM
2020-10-21 ARG A:49 M:49 143.0 0.636 H -67.8 -39.9 37.0 0.164 0.472 K:Q9BZ95:0.471
DC
DG
DC
9.953
7.728
7.729
N
N
NH1
O3'
OP1
OP1
ARG E:49 E:49 118.0 0.524 H -105.5 -0.7 118.0 0.524 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DG
DT
DG
8.465
6.885
6.214
8.167
8.579
4.761
3.288
4.149
9.485
7.439
6.150
NH1
NH1
NH1
NH1
NH1
NH2
NH1
CD
N
N
NH2
C2
O2
C4'
OP1
C2
O3'
C5'
OP1
O3'
OP1
OP2
4z5t 1 Q6NXT2 95.59 4e-90 X-RAY
2016-02-10 ARG A:52 A:48 92.0 0.409 H -58.2 -46.0 92.0 0.409 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
8.560
7.800
6.314
7.673
8.796
5.377
3.254
3.281
8.987
9.007
6.718
5.294
NH1
NH1
NH1
NH2
NH1
NH1
NH1
CD
CG
NH2
NH2
NH2
O2
O3'
C4'
OP1
O2
O3'
C4'
OP1
OP1
O3'
O3'
OP1
ARG E:52 E:48 92.0 0.409 H -57.5 -47.7 92.0 0.409 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
8.893
5.386
3.570
3.136
7.506
9.318
6.996
5.404
9.082
6.783
5.022
6.493
NH2
NH1
NH1
CD
O
N
N
NH1
NH2
NH2
NH2
NH2
C2
O3'
C5'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C4'
OP1
1p3b 2 Q7ZT64 94.81 5e-90 X-RAY
2004-02-24 ARG C:49 A:449 108.0 0.48 H -61.6 -46.8 108.0 0.48 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
9.103
7.036
5.453
7.293
8.776
5.833
3.161
2.843
9.277
9.012
6.827
4.843
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
NH2
NH2
NH2
C2
O2
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
ARG G:49 E:649 115.0 0.511 H -54.2 -43.9 115.0 0.511 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.752
5.564
3.300
3.048
8.379
8.940
6.543
5.328
8.727
6.727
5.977
7.165
3.793
NH1
NH2
NH1
CG
O
N
N
NH2
NH1
NH1
NH1
NH2
CG
C2
O3'
C4'
OP1
OP1
O3'
OP1
OP2
C2
O3'
C4'
OP1
O
1p3f 2 Q7ZT64 94.81 5e-90 X-RAY
2004-02-24 ARG C:49 A:449 107.0 0.476 H -56.6 -48.0 107.0 0.476 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
DA
HOH
9.177
6.842
5.464
6.971
8.562
5.565
3.293
2.780
9.218
9.065
6.676
4.648
9.725
8.005
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH2
O
C2
O2
C4'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP1
O
ARG G:49 E:649 111.0 0.493 H -63.8 -36.8 111.0 0.493 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.478
5.751
3.526
3.264
9.155
8.957
6.569
5.119
8.781
6.977
5.997
6.958
5.224
NH1
NH2
NH1
CD
CG
N
NH2
NH2
NH1
NH1
NH1
NH2
O
C2
O3'
C4'
OP1
OP2
O3'
C3'
OP2
C2
O3'
C4'
OP1
O
1p3g 2 Q7ZT64 94.81 5e-90 X-RAY
2004-02-24 ARG C:49 A:449 117.0 0.52 H -64.8 -38.0 117.0 0.52 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
DA
HOH
9.413
7.471
5.731
6.864
9.135
5.360
3.364
3.226
8.934
9.003
6.795
5.018
9.578
3.310
NH1
NH1
NH1
NH1
NH1
NH2
CD
CG
CG
N
N
NH2
NH2
CD
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
OP2
O
ARG G:49 E:649 112.0 0.498 H -59.0 -46.7 112.0 0.498 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.436
5.631
3.167
3.112
9.371
8.915
6.702
5.529
9.203
6.774
6.186
6.953
2.715
NH2
NH2
CD
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
O
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C4'
OP1
O
1p3i 2 Q7ZT64 94.81 5e-90 X-RAY
2004-02-24 ARG C:49 A:449 117.0 0.52 H -67.3 -43.1 117.0 0.52 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
DA
HOH
9.288
7.399
5.716
7.021
8.808
5.561
3.339
3.007
9.278
8.844
6.681
5.233
9.631
4.940
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
N
NH2
NH2
O
C2
O2
C4'
OP1
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
OP2
O
ARG G:49 E:649 114.0 0.507 H -58.8 -36.5 114.0 0.507 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.486
6.075
3.507
3.116
8.923
8.822
6.702
5.740
9.104
6.521
6.293
6.767
2.652
NH2
NH2
NH1
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
O
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
C2
O3'
C4'
OP1
O
1p3o 2 Q7ZT64 94.81 5e-90 X-RAY
2004-02-24 ARG C:49 A:449 112.0 0.498 H -61.3 -34.8 112.0 0.498 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
DA
HOH
9.292
7.385
5.687
6.596
9.174
5.649
3.269
3.007
9.222
8.965
6.614
4.833
9.934
4.305
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH2
O
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP2
O
ARG G:49 E:649 113.0 0.502 H -60.5 -39.5 113.0 0.502 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.454
5.991
3.333
3.181
8.863
8.975
6.769
5.559
8.795
6.667
6.021
6.912
6.952
NH2
NH2
CD
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
O
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C4'
OP1
O
1p3p 2 Q7ZT64 94.81 5e-90 X-RAY
2004-02-24 ARG C:49 A:449 112.0 0.498 H -64.2 -34.1 112.0 0.498 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
DA
HOH
9.168
7.428
5.735
6.750
8.867
5.662
3.184
2.902
8.943
9.024
6.577
4.698
9.608
4.087
NH1
NH1
NH1
NH1
NH1
NH2
CD
CG
CG
N
NH2
NH2
NH2
O
C2
O2
C4'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP2
O
ARG G:49 E:649 114.0 0.507 H -59.7 -43.4 114.0 0.507 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.620
5.573
3.220
3.202
9.329
9.012
6.685
5.277
8.916
6.807
6.164
7.170
2.754
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH1
NH1
NH1
NH2
O
C2
O3'
O3'
OP1
P
O3'
O3'
OP2
C2
O3'
C4'
OP1
O
6ven 1 P84233 94.81 5e-90 EM
2020-01-15 ARG A:49 A:49 104.0 0.462 H -93.6 -39.5 104.0 0.462 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
8.298
5.975
3.480
3.114
9.121
9.667
7.158
5.758
8.988
7.053
5.719
7.813
NH1
NH2
CD
CD
CD
N
NH2
NH2
NH1
NH1
NH1
NH1
N2
O3'
O3'
OP1
OP2
O3'
C3'
OP2
O2
O3'
C5'
OP1
ARG E:49 E:49 118.0 0.524 H -61.0 -45.2 118.0 0.524 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
9.492
7.201
6.113
6.893
9.895
5.557
3.679
4.179
9.194
9.659
7.436
5.934
CD
CD
NH1
NH1
NH1
NH2
NH2
NE
O
N
NH1
NH2
C2
O3'
C4'
OP1
C2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
6nj9 1 P84233 94.81 5e-90 EM
2019-02-20 ARG A:49 A:49 115.0 0.511 H -77.3 -41.1 115.0 0.511 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
7.970
5.692
3.739
3.443
9.296
9.493
7.228
6.344
9.284
6.969
5.155
6.737
NH2
NH1
CD
CD
CG
N
N
NH1
NH2
NH2
NH2
NH2
N2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
O2
O3'
C4'
OP1
ARG E:49 E:49 114.0 0.507 H -77.3 -41.2 114.0 0.507 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
9.166
7.070
5.253
6.708
9.355
5.702
3.628
3.287
9.334
9.364
7.197
6.081
NH2
NH2
NH2
NH2
NH2
NH1
NH1
CD
CG
N
N
NH1
C2
O3'
C4'
OP1
C2
O3'
C5'
OP1
OP2
O3'
OP1
OP2
6nqa 8 P84233 94.81 5e-90 EM
2019-02-20 ARG H:49 E:49 124.0 0.551 H -91.1 -42.5 124.0 0.551 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
7.306
5.385
3.427
3.774
9.316
9.923
7.524
6.174
8.967
7.139
5.731
7.416
NH2
NH1
NH1
CG
O
N
N
NH1
NH2
NH2
NH2
NH2
N2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
O2
O2
C4'
OP1
ARG I:49 A:49 146.0 0.649 H -101.6 -31.0 146.0 0.649 0.0 DA
DT
DC
DC
DG
DA
DT
DG
DT
DA
DG
DT
DG
7.496
4.754
3.463
6.719
9.764
8.694
7.213
3.876
3.565
9.071
9.375
7.198
8.593
NH1
NH2
NH2
NH2
NH2
NH2
NH2
CD
CD
CG
N
N
NE
N3
O3'
C5'
OP1
N2
C2
O2
O3'
OP1
P
O3'
OP1
OP2
1p3a 2 Q7ZT64 94.07 3e-89 X-RAY
2004-02-24 ARG C:49 A:449 109.0 0.484 H -71.1 -33.9 109.0 0.484 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
9.099
6.755
5.625
6.445
8.857
5.897
3.610
3.322
9.298
9.070
6.882
6.447
NH2
NH1
NH2
NH2
NH2
NH2
NH1
NH1
O
N
N
NH2
C2
O3'
C4'
OP1
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP1
ARG G:49 E:649 113.0 0.502 H -49.5 -50.4 113.0 0.502 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DC
DA
DT
DT
DG
HOH
9.502
5.646
3.309
2.826
9.093
9.071
6.190
4.797
9.926
9.169
7.043
6.212
6.889
7.034
NH1
NH2
CD
CD
O
N
NH2
NH2
NH2
NH1
NH1
NH1
NH1
O
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP2
C2
O3'
C4'
OP1
O
1p3k 2 Q7ZT64 94.07 3e-89 X-RAY
2004-02-24 ARG C:49 A:449 111.0 0.493 H -62.2 -53.2 111.0 0.493 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
DA
HOH
9.697
7.492
6.206
7.023
8.984
5.748
3.321
2.821
9.088
8.840
6.199
4.203
9.272
7.141
NH1
NH1
NH1
NH1
NH1
NH1
CD
CG
CG
NH2
NH2
NH2
NH2
O
C2
O2
C4'
OP1
C2
O3'
O3'
OP1
OP2
O3'
C3'
OP2
OP2
O
ARG G:49 E:649 109.0 0.484 H -61.0 -44.4 109.0 0.484 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DC
DA
DT
DT
DG
HOH
9.329
5.631
3.269
3.180
9.130
9.138
6.213
4.513
9.709
9.273
7.523
6.209
6.631
6.739
NH1
NH2
CD
CD
O
N
NH2
NH2
NH2
NH1
NH1
NH1
NH1
O
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP2
C2
O2
C4'
OP1
O
1p3m 2 Q7ZT64 94.07 4e-89 X-RAY
2004-02-24 ARG C:49 A:449 116.0 0.516 H -71.8 -43.9 116.0 0.516 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
DA
HOH
8.807
6.853
5.482
7.084
8.478
5.644
3.142
3.164
8.168
9.456
6.867
5.133
9.828
7.090
NH1
NH1
NH1
NH1
NH1
NH2
NH1
CG
CG
NH2
NH2
NH2
NH2
O
C2
O2
C4'
OP1
C2
O3'
C4'
OP1
OP2
O3'
O3'
OP2
OP2
O
ARG G:49 E:649 112.0 0.498 H -59.9 -37.9 112.0 0.498 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
8.764
5.309
3.147
3.688
8.949
9.345
6.415
4.887
8.962
7.137
6.188
7.039
3.482
NH1
NH1
NH1
CD
O
NH2
NH2
NH2
NH1
CD
NH1
NH1
CA
C2
O3'
C4'
OP1
OP2
O3'
C3'
OP2
C2
O3'
C4'
OP1
O
5ong 3 P84233 94.81 4e-89 X-RAY
2017-11-22 ARG C:49 A:49 115.0 0.511 H -55.8 -40.3 115.0 0.511 0.0 DA
DT
G47
DG
DA
DT
DA
DT
DC
DG
DA
DA
DC
9.764
8.207
5.991
7.657
9.628
5.527
3.257
3.040
8.926
9.239
6.231
4.360
9.364
NH1
NH1
NH1
NH1
NH1
NH2
CD
CG
CG
N
NH2
NH2
NH2
C2
O3'
C4'
OP1
N3
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP2
ARG G:49 E:49 115.0 0.511 H -55.4 -42.1 115.0 0.511 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
G47
DG
HOH
8.477
5.355
3.356
3.200
9.197
9.009
6.899
5.336
9.258
7.166
6.144
7.149
6.925
NH2
NH1
NH1
CG
CG
N
N
NH1
NH2
NH2
NH2
NH2
O
C2
O3'
C5'
OP1
OP2
O3'
OP1
OP2
C2
O2
C4'
OP1
O
5onw 3 P84233 94.81 4e-89 X-RAY
2017-11-22 ARG C:49 A:49 119.0 0.529 H -55.3 -40.7 119.0 0.529 0.0 DT
G47
DG
DA
DT
DA
DT
DC
DG
DA
DA
9.027
7.282
8.186
9.987
5.932
3.428
3.042
8.810
9.356
7.092
5.691
NH2
NH2
NH2
NH2
NH2
NE
CD
CD
N
N
NH2
O2
C4'
OP1
N3
O3'
O3'
OP1
OP2
O3'
OP1
OP2
ARG G:49 E:49 116.0 0.516 H -55.4 -44.2 116.0 0.516 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
G47
DG
9.758
5.557
3.327
3.128
9.275
9.211
7.046
5.403
9.855
8.910
6.838
7.770
NH2
NH1
NH1
CG
CG
N
N
NH1
NH2
NH2
NH2
NH2
N3
O3'
C5'
OP1
OP2
O3'
OP1
OP2
C2
O2
C4'
OP1
1p3l 2 Q7ZT64 94.07 6e-89 X-RAY
2004-02-24 ARG C:49 A:449 112.0 0.498 H -70.5 -29.8 112.0 0.498 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
HOH
9.446
6.756
5.571
6.578
8.919
5.990
3.630
3.419
9.151
9.894
7.528
6.465
2.492
NH1
NH1
NH1
NH2
NH2
NH2
NH1
CD
O
CG
CG
NH2
NE
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
O
ARG G:49 E:649 113.0 0.502 H -57.1 -44.0 113.0 0.502 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.662
6.134
3.252
2.986
8.484
9.534
6.854
5.767
9.165
6.851
6.175
6.403
2.510
NH1
NH2
CD
CG
O
NH2
NH2
NH2
NH1
NH1
NH1
NH2
O
C2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
C2
O3'
C4'
OP1
O
1p34 2 Q7ZT64 94.07 6e-89 X-RAY
2004-02-24 ARG C:49 A:449 115.0 0.511 H -74.5 -36.5 115.0 0.511 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
DA
HOH
9.313
7.251
5.719
6.982
8.876
5.737
3.408
2.918
9.314
8.748
6.642
4.941
9.873
3.417
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
N
NH2
NH2
CG
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
OP2
O
ARG G:49 E:649 119.0 0.529 H -64.0 -39.8 119.0 0.529 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.649
5.834
3.399
2.944
8.946
8.583
6.576
5.400
8.810
6.828
6.295
7.003
3.465
NH1
NH2
NH1
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
N
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
C2
O3'
C4'
OP1
O
4kud 1 P61830 90.44 4e-87 X-RAY
2013-08-07 ARG A:50 A:49 115.0 0.511 H -63.3 -39.4 115.0 0.511 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
DA
HOH
9.064
7.026
5.909
8.030
9.560
5.827
3.414
3.339
8.874
8.996
6.786
5.354
9.856
9.006
NH1
CD
NH1
NH1
NH1
NH1
NH1
CD
CG
N
N
NH2
NH2
C
C2
O3'
C5'
OP1
N3
O3'
C5'
OP1
OP2
O3'
OP1
OP2
OP2
O
ARG E:50 E:49 102.0 0.453 H -60.9 -40.6 102.0 0.453 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.377
6.199
4.202
4.325
8.626
9.074
6.894
5.632
8.971
5.583
4.000
6.628
4.852
NH1
NH2
NH2
CD
O
N
N
NH2
NH1
NH1
CG
NH1
O
C2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
C2
O3'
OP1
OP1
O
5zba 3 P61830 90.44 4e-87 X-RAY
2018-07-25 ARG C:50 C:49 234.0 1.0 -62.4 136.0 179.0 0.796 0.204 D:P02309:0.244
IOD
IOD
IOD
IOD
IOD
IOD
3.791
5.819
9.182
7.729
7.654
8.833
N
NE
NH2
NH1
NH2
NH2
I
I
I
I
I
I
5zbb 3 P61830 90.44 4e-87 X-RAY
2018-07-25 ARG C:50 C:49 231.0 1.0 -65.2 133.3 200.0 0.889 0.111 D:P02309:0.138
IOD
IOD
IOD
3.948
6.434
8.153
N
CD
O
I
I
I
7k7g 1 P61830 90.44 4e-87 EM
2021-03-31 ARG A:50 A:50 201.0 0.893 T -80.0 -12.9 201.0 0.893 0.0 DG
DT
DG
9.908
7.958
6.687
NH1
NH1
NH1
O3'
OP1
OP1
ARG E:50 E:50 200.0 0.889 T -80.0 -12.8 200.0 0.889 0.0 DC
DG
DC
9.952
7.792
6.635
NH1
NH1
NH1
O3'
OP1
OP2
6gej 2 P61830 89.71 2e-86 EM
2018-10-17 ARG B:50 A:49 139.0 0.618 H -66.7 -26.9 139.0 0.618 0.0 DG
DT
DG
9.451
7.174
6.648
CG
CG
NH1
O3'
OP1
OP1
ARG C:50 B:49 139.0 0.618 H -66.7 -26.8 139.0 0.618 0.0 DA
DA
DT
DC
DC
DG
DC
DT
DC
5.719
3.272
3.861
9.775
9.393
7.149
6.851
8.940
9.022
NH1
NH1
NH2
O
CG
CG
NH1
CD
CD
O3'
C5'
OP2
OP2
O3'
OP1
OP2
C5'
OP1
6gen 2 P61830 89.71 2e-86 EM
2018-10-17 ARG B:50 A:49 133.0 0.591 H -74.8 -18.9 133.0 0.591 0.0 DG
DT
DG
9.550
7.375
6.511
CG
CG
NH1
O3'
OP1
OP2
ARG C:50 B:49 133.0 0.591 H -74.7 -18.9 133.0 0.591 0.0 DA
DA
DT
DC
DC
DG
DC
DC
DT
DC
5.984
3.383
3.838
9.723
9.661
7.437
6.728
7.970
6.528
8.431
NH1
NH1
NH2
O
CG
CG
NH1
CB
CB
CD
O3'
C5'
OP2
OP2
O3'
OP1
OP2
O3'
OP1
OP1
4jjn 1 P61830 90.37 5e-86 X-RAY
2013-05-15 ARG A:49 A:49 123.0 0.547 H -66.0 -42.9 123.0 0.547 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DG
DT
DC
DT
DC
8.030
5.008
2.997
3.328
8.720
8.892
6.690
5.627
9.407
9.949
8.223
6.314
7.335
NH2
NH2
NH1
CD
O
N
N
NH2
NH1
NH2
NH2
NH2
NH2
N2
O3'
O5'
OP1
OP1
O3'
OP1
OP2
OP2
O2
O2
C4'
OP1
ARG E:49 E:49 127.0 0.564 H -67.1 -31.1 127.0 0.564 0.0 DA
DT
DC
DC
DT
DG
DT
DA
DG
DT
DG
DC
9.236
7.066
6.180
7.891
5.953
2.899
2.895
8.036
8.961
6.834
4.900
9.923
CD
CD
CD
NE
NH2
NH1
NH1
O
NH2
NH2
NH2
NH2
C2
O3'
C5'
OP1
O3'
O3'
OP1
OP1
O3'
OP1
OP2
OP2
1id3 2 P61830 89.63 3e-85 X-RAY
2001-09-28 ARG C:49 A:49 104.0 0.462 H -48.0 -44.3 104.0 0.462 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
HOH
9.193
6.560
5.131
6.708
9.755
5.990
3.254
3.249
9.591
9.065
6.774
5.992
9.146
NH1
NH1
NH1
NH2
NH2
NH2
CD
CD
CD
N
NH2
NH2
C
C2
O3'
C5'
OP1
N3
O3'
O3'
OP1
OP2
O3'
OP1
OP2
O
ARG G:49 E:49 117.0 0.52 H -64.1 -39.5 117.0 0.52 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
MN
HOH
9.898
5.765
3.356
2.831
9.326
8.661
6.550
5.645
9.327
6.830
6.497
7.018
3.685
7.692
NH2
NH2
NH1
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
CD
O
N3
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C4'
OP1
MN
O
7dbh 1 ? 91.18 3e-84 EM
2022-01-19 ARG A:53 NA:NA DO NA DO DO DO NA NA NA
ARG E:53 E:49 188.0 0.836 H -58.7 -45.4 188.0 0.836 0.0 DC
DG
DC
7.399
5.045
5.205
NH2
NH2
NH2
O3'
OP1
OP2
7vbm 1 ? 91.18 3e-84 EM
2022-01-19 ARG A:53 NA:NA DO NA DO DO DO NA NA NA
ARG E:53 NA:NA DO NA DO DO DO NA NA NA
4h9p 1 P84243 95.56 8e-82 X-RAY
2012-10-17 ARG A:49 A:49 163.0 0.724 H -57.5 -44.2 160.0 0.711 0.013 C:Q9UER7:0.013
PO4
HOH
4.076
3.023
N
NE
O3
O
4h9r 1 P84243 95.56 8e-82 X-RAY
2012-10-17 ARG A:49 A:49 128.0 0.569 H -61.9 -40.9 124.0 0.551 0.018 C:Q9UER7:0.018
PO4
PO4
HOH
6.260
2.959
2.451
NH2
NH2
NH2
O3
O3
O
5zbx 1 P68431,P49450 84.78 7e-79 X-RAY
2019-02-13 ARG A:53 A:49 96.0 0.427 H -60.0 -41.7 96.0 0.427 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
9.132
7.171
5.482
6.811
9.118
5.312
3.411
3.632
8.032
9.267
7.033
5.665
CD
CG
NH1
NH1
NH1
NH2
CD
CD
O
N
N
NH2
O2
O3'
C4'
OP1
O2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
ARG E:53 E:49 107.0 0.476 H -57.9 -45.6 107.0 0.476 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
8.892
6.222
3.402
3.125
8.926
8.989
6.872
6.543
8.394
6.438
5.392
6.245
NH2
NH2
CD
CG
O
N
N
NH2
NH1
NH1
NH2
NH2
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C4'
OP1
1aoi 2 P02302 95.69 3e-78 X-RAY
1998-09-30 ARG C:30 A:49 93.0 0.413 H -68.7 -23.6 93.0 0.413 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
DA
9.278
7.321
5.401
7.033
9.226
5.621
3.591
2.921
9.010
9.283
6.611
4.812
9.773
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CB
NH2
NH2
NH2
NH2
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP1
ARG G:30 E:49 117.0 0.52 H -55.9 -46.7 117.0 0.52 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
9.289
5.597
3.372
3.018
8.152
9.163
6.735
5.104
8.993
6.961
6.586
7.254
NH1
NH2
NH1
CG
O
N
NH2
NH2
NH1
NH1
NH1
NH2
C2
O3'
C4'
OP1
OP2
O3'
O3'
OP2
C2
O3'
C4'
OP1
5z23 1 P68431,P49450 83.33 1e-76 X-RAY
2019-02-13 ARG A:53 A:49 97.0 0.431 H -62.4 -38.0 97.0 0.431 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
8.734
6.631
5.472
7.042
9.200
5.882
3.370
2.869
8.946
9.005
6.897
5.599
NH1
NH1
NH1
NH2
NH1
NH2
CD
CD
CD
N
N
NH2
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
ARG E:53 E:49 109.0 0.484 H -62.3 -37.7 109.0 0.484 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
8.851
6.069
3.301
3.173
7.558
9.256
6.832
5.435
8.796
6.449
4.913
6.454
NH1
NH2
NE
CG
CG
NH2
NH2
NH2
NH1
NH1
NH1
NH1
C2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
C2
O3'
C4'
OP1
5ay8 1 ? 82.09 2e-76 X-RAY
2016-04-06 ARG A:53 A:49 137.0 0.609 H -84.8 -24.3 137.0 0.609 0.0 DA
DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
9.323
7.080
3.097
3.357
7.354
9.410
7.602
2.981
3.417
8.124
8.979
6.888
8.090
NH2
NH1
NH1
NH1
CD
NH1
NH2
NH2
NH2
NH2
N
N
CD
C2
O2
O3'
OP1
OP1
O2
N3
O3'
OP1
OP1
O3'
OP1
OP1
ARG E:53 E:49 135.0 0.6 H -82.4 -23.0 135.0 0.6 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
9.356
7.251
2.788
3.279
8.086
8.941
6.806
8.132
7.282
3.129
3.399
7.277
NH1
NH2
NH2
NH2
NH2
N
N
NE
NH1
NH1
CD
CD
C2
O2
O3'
OP1
P
O3'
OP1
OP2
N3
O3'
OP1
OP1
5bs7 1 P84233 96.4 9e-76 X-RAY
2015-07-08 ARG A:25 NA:NA DO NA DO DO DO NA NA NA
ARG B:25 NA:NA DO NA DO DO DO NA NA NA
5bsa 1 P84233 96.36 4e-75 X-RAY
2015-07-08 ARG A:24 NA:NA DO NA DO DO DO NA NA NA
ARG B:24 NA:NA DO NA DO DO DO NA NA NA
3w98 1 P68431 95.37 6e-73 X-RAY
2013-08-28 ARG A:26 A:49 76.0 0.338 H -70.5 -33.4 76.0 0.338 0.0 DT
DA
DT
DT
DT
DA
DT
DC
DC
DA
DA
DC
9.438
6.879
6.026
7.592
9.425
6.061
3.544
2.996
9.626
8.460
6.066
5.288
NH1
NH1
NH1
NH2
NH1
NH2
CD
CD
O
NH2
NH2
NH2
O2
O3'
C4'
OP1
O2
O3'
O3'
OP2
OP1
O3'
OP1
OP2
ARG E:26 E:49 104.0 0.462 H -68.0 -38.3 104.0 0.462 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
9.663
6.237
3.181
2.717
8.360
9.062
6.793
5.479
8.808
7.071
6.158
7.438
NH1
NH2
CD
CD
O
N
N
NH2
NH1
NH1
NH1
NH2
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP1
C2
O3'
C4'
OP1
7ea8 2 ? 99.01 4e-70 EM
2021-07-14 ARG B:17 A:49 134.0 0.596 H -63.3 -39.4 48.0 0.213 0.383 A:Q9BYW2:0.382
DG
DT
DG
9.664
7.436
7.464
N
N
NH1
O3'
OP2
OP2
ARG F:17 E:49 82.0 0.364 H -63.7 -41.0 82.0 0.364 0.0 DG
DA
DA
DT
DG
DC
DT
DC
DT
DC
7.710
5.005
3.589
3.993
7.726
6.401
9.077
6.972
5.377
7.667
NH2
NH1
NH1
CG
N
NH1
NH2
NH2
NH2
NH2
N2
O3'
O5'
OP1
OP1
OP2
O2
O3'
C5'
OP1
4z2m 2 P68431 96.08 9e-69 X-RAY
2016-03-09 ARG B:16 NA:NA DO NA DO DO DO NA NA NA
ARG D:16 NA:NA DO NA DO DO DO NA NA NA
7ea5 1 A0A310TTQ1 95.05 2e-67 EM
2021-07-14 ARG A:16 A:49 127.0 0.564 H -65.3 -40.6 32.0 0.142 0.422 K:A0A6V8RR65:0.422
DG
DT
DG
9.686
7.421
7.656
N
NH1
NH1
O3'
OP2
OP2
ARG E:16 E:49 119.0 0.529 H -64.6 -40.7 119.0 0.529 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
6.881
4.843
3.759
3.590
9.869
9.902
7.514
6.864
8.446
6.419
5.468
7.706
NH2
NH1
NH1
CG
CG
N
N
NH1
NH2
NH2
NH2
NH2
N2
O3'
C4'
OP1
OP1
O3'
OP1
OP2
O2
O3'
C4'
OP1
6r1t 1 A0A310TTQ1 95.96 1e-66 EM
2019-04-24 ARG A:13 A:49 121.0 0.538 H -64.0 -40.9 121.0 0.538 0.0 DC
DT
DC
DG
DA
DA
DT
DC
DC
DG
DC
8.311
6.154
7.134
8.965
6.134
3.536
3.261
8.904
9.944
7.681
5.870
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
N
NH2
O3'
C4'
OP1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
ARG E:13 E:49 128.0 0.569 H -63.1 -34.8 128.0 0.569 0.0 DA
DT
DG
DT
DA
DG
DT
DG
DT
DC
DC
9.759
6.693
3.452
3.290
8.886
9.615
7.638
5.760
8.641
6.115
6.910
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH1
NH1
NH1
C2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
O3'
C4'
OP1
7ktq 1 A0A310TTQ1 95.96 1e-66 EM
2021-02-03 ARG A:13 A:49 133.0 0.591 H -64.3 -39.4 133.0 0.591 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
8.115
6.006
4.466
7.813
8.486
5.909
3.000
3.491
7.448
9.414
6.989
7.572
NH1
NH2
NH2
NH2
NH2
NH2
NH1
CG
NH1
N
N
CD
C2
O3'
C5'
OP1
C2
O2
O3'
OP1
OP1
O3'
OP1
OP2
ARG E:13 E:49 97.0 0.431 H -64.4 -38.9 97.0 0.431 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
9.170
5.977
3.328
3.241
8.294
9.604
7.018
5.618
8.987
8.255
7.082
7.620
NH2
NH2
CD
CD
O
N
NH2
NH2
CD
NE
NH2
NH2
N2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
O2
O3'
C4'
OP1
5wcu 1 P02299 96.94 1e-66 X-RAY
2018-10-31 ARG A:12 A:49 126.0 0.56 H -62.2 -34.9 126.0 0.56 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
7.536
5.691
4.308
6.580
8.832
5.974
4.079
5.064
8.688
9.078
6.679
6.166
NH1
CD
CD
NE
NH1
NH2
NH2
CB
O
NE
NE
NH2
C2
O3'
C5'
OP1
C2
O3'
C4'
OP1
OP1
O3'
OP1
OP2
ARG E:12 E:49 108.0 0.48 H -62.1 -35.1 108.0 0.48 0.0 DA
DA
DT
DC
DC
DG
DC
DG
DT
DC
DT
DC
5.429
3.056
3.207
8.519
8.898
6.589
5.414
9.611
9.129
7.797
6.418
6.870
NH2
CD
CG
CG
N
NH1
NH2
NH2
CD
CD
NH1
NH1
O3'
O3'
OP1
P
O3'
OP1
OP2
OP2
O2
O3'
C5'
OP1
ARG K:12 K:49 116.0 0.516 H -62.2 -34.9 NA NA NA
ARG O:12 O:49 101.0 0.449 H -62.2 -35.0 NA NA NA
6jm9 3 P84233 96.94 1e-66 EM
2019-05-15 ARG C:12 A:49 109.0 0.484 H -59.2 -44.3 109.0 0.484 0.0 DA
DA
DC
8.949
6.784
5.580
N
N
NH2
O3'
OP1
OP2
ARG G:12 E:49 119.0 0.529 H -59.5 -40.2 119.0 0.529 0.0 DG
DA
DA
8.857
6.805
5.495
N
N
NH2
O3'
OP1
OP2
6jma 2 P84233 96.94 1e-66 EM
2019-05-15 ARG C:12 A:49 108.0 0.48 H -59.2 -44.3 108.0 0.48 0.0 DA
DA
DC
8.948
6.783
5.579
N
N
NH2
O3'
OP1
OP2
ARG G:12 E:49 118.0 0.524 H -59.5 -40.2 118.0 0.524 0.0 DG
DA
DA
8.857
6.805
5.495
N
N
NH2
O3'
OP1
OP2
6yn1 3 A0A310TTQ1 95.92 6e-66 X-RAY
2021-11-17 ARG C:13 C:49 179.0 0.796 H -61.6 -42.2 179.0 0.796 0.0 HOH
7.344
O
O
ARG H:13 H:49 146.0 0.649 H -65.2 -35.1 146.0 0.649 0.0 HOH
2.724
O
O
ARG M:13 M:49 169.0 0.751 H -60.3 -41.4 NA NA NA
ARG R:13 R:49 174.0 0.773 H -62.2 -44.4 NA NA NA
ARG W:13 W:49 160.0 0.711 H -58.1 -40.0 NA NA NA
ARG BA:13 b:49 181.0 0.804 H -68.3 -42.2 NA NA NA
ARG GA:13 g:49 153.0 0.68 H -61.3 -36.4 NA NA NA
ARG LA:13 l:49 165.0 0.733 H -58.2 -37.2 NA NA NA
6fq5 1 ? 95.92 6e-66 EM
2018-04-18 ARG A:13 A:49 112.0 0.498 H -60.0 -38.0 112.0 0.498 0.0 DT
DC
DT
DC
DG
DA
DA
DT
DC
DC
DG
DC
9.646
6.715
5.158
7.795
8.596
6.983
3.484
3.347
7.975
9.573
6.730
5.464
NH1
NH1
NH1
NH1
NH1
NH1
NE
CD
CG
NH2
NH2
NH2
O2
O3'
C5'
OP1
N2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
ARG E:13 E:49 127.0 0.564 H -63.9 -38.5 127.0 0.564 0.0 DT
DG
DT
DA
DG
DT
DG
DA
DT
DC
DC
6.702
3.712
3.456
8.293
8.916
6.517
4.730
9.068
7.776
5.714
8.742
NH1
CD
CD
CG
N
NH2
NH2
NH1
NH1
NH1
NH1
O3'
O3'
OP1
OP1
O3'
O3'
OP2
C2
C4'
C5'
C5'
6fq6 1 ? 95.92 6e-66 EM
2018-04-18 ARG A:13 A:49 96.0 0.427 H -61.6 -42.2 96.0 0.427 0.0 DT
DC
DT
DC
DG
DA
DA
DT
DC
DC
DG
DC
DG
8.931
6.609
5.282
6.871
8.537
8.149
4.364
4.226
7.498
9.269
6.327
4.876
9.537
CD
NH1
NH1
NH1
NH1
NH1
NE
CD
O
N
NH2
NH2
NH2
O2
O3'
C5'
OP1
N2
N3
O3'
C5'
OP1
O3'
O3'
OP2
OP2
ARG E:13 E:49 107.0 0.476 H -65.6 -36.6 107.0 0.476 0.0 DT
DG
DT
DA
DG
DT
DG
DC
DA
DT
DC
DC
8.168
4.142
4.173
7.916
9.196
5.841
4.205
9.489
9.758
6.937
5.826
7.366
NH2
NE
NE
O
N
NH2
NH2
NH2
NH1
NH1
NH1
NH1
O3'
O3'
OP1
OP1
O3'
O3'
OP1
OP2
C2
O3'
C5'
OP1
6fq8 1 P02302 95.92 6e-66 EM
2018-04-18 ARG A:13 A:49 91.0 0.404 H -61.1 -40.9 91.0 0.404 0.0 DT
DC
DT
DC
DG
DA
DA
DT
DC
DC
DG
DC
DG
9.830
6.529
5.011
5.080
8.695
7.772
5.527
6.103
9.721
9.086
6.404
4.333
8.545
CD
CG
NH1
NH1
NH1
NH1
CD
CD
O
NH2
NH2
NH2
NH2
O2
O3'
O3'
OP1
N2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
ARG E:13 E:49 82.0 0.364 H -65.1 -40.7 82.0 0.364 0.0 DT
DG
DT
DA
DG
DT
DG
DC
DA
DT
DC
DC
7.732
3.782
3.687
8.315
8.986
6.633
4.882
9.212
9.680
8.383
7.425
8.899
NH1
CD
NE
O
N
N
NH2
NH2
CD
N
NH1
NH1
O3'
O3'
OP1
OP1
O3'
OP1
OP2
OP2
C2
O3'
C5'
OP1
4xzq 1 P84233 95.92 7e-66 X-RAY
2015-10-14 ARG A:12 A:449 108.0 0.48 H -63.2 -36.9 108.0 0.48 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DG
DA
DA
DC
HOH
9.514
7.865
5.907
6.950
9.372
5.581
3.313
2.759
9.218
8.928
6.424
4.534
9.562
3.832
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH2
N
C2
O3'
C4'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP2
O
ARG E:12 E:649 117.0 0.52 H -60.4 -41.5 117.0 0.52 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.428
5.862
3.455
3.068
9.135
8.986
6.828
5.466
9.527
6.769
5.590
7.132
2.726
NH2
NH2
NH1
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
O
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C5'
OP1
O
4ys3 1 P84233 95.92 7e-66 X-RAY
2015-10-14 ARG A:12 A:449 113.0 0.502 H -78.6 -32.3 113.0 0.502 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DG
DA
DA
DC
HOH
9.519
7.314
5.627
6.723
8.995
5.740
3.527
2.841
8.723
8.783
6.651
5.082
9.575
4.677
NH1
CD
NH1
NH1
NH1
NH2
CD
CG
CG
N
N
NH2
NH2
O
C2
O3'
C4'
OP1
C2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
OP2
O
ARG E:12 E:649 112.0 0.498 H -54.1 -43.9 112.0 0.498 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.659
5.914
3.458
3.057
8.974
9.237
6.911
5.546
8.938
6.917
5.616
7.054
3.415
NH1
NH2
NH1
CG
CG
N
NH2
NH2
NH1
NH1
NH1
NH2
CG
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
C2
O3'
C5'
OP1
O
4z66 1 P84233 95.92 7e-66 X-RAY
2015-10-14 ARG A:12 A:449 109.0 0.484 H -60.1 -35.7 109.0 0.484 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DG
DA
DA
DC
HOH
9.500
7.687
5.723
6.831
9.259
5.586
3.344
2.873
9.156
8.840
6.492
4.670
9.465
7.914
NH1
NH1
NH1
NH1
NH1
NH2
CD
CD
CG
N
NH2
NH2
NH2
O
C2
O3'
C4'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP2
O
ARG E:12 E:649 114.0 0.507 H -59.1 -43.9 114.0 0.507 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
HOH
9.650
5.895
3.531
3.072
9.129
9.031
6.720
5.485
9.551
6.792
5.534
6.927
2.723
NH2
NH2
CD
CG
CG
N
NH2
NH2
NH1
NH1
NH1
NH2
O
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
C2
O3'
C5'
OP1
O
6iy2 1 A0A310TTQ1 95.0 8e-66 EM
2019-04-03 ARG A:14 A:49 108.0 0.48 H -72.5 -25.6 108.0 0.48 0.0 DT
DT
DT
DG
DA
DA
DA
DC
DT
DC
DG
DA
9.063
7.044
5.194
5.831
8.467
4.937
3.400
3.752
9.772
9.951
7.630
7.007
NH2
NH2
NH2
NH2
NH2
NH1
NH1
CD
O
CG
N
NH1
O2
O2
C4'
OP1
C2
O3'
C5'
OP1
OP2
O3'
OP1
OP2
ARG E:14 E:49 109.0 0.484 H -76.1 -26.4 109.0 0.484 0.0 DT
DG
DC
DA
DA
DT
DT
DT
DC
DA
DG
9.133
5.120
3.444
4.257
7.386
9.699
7.519
7.360
6.270
5.237
6.896
NH2
NH1
NH1
CD
O
CG
CG
NH1
NH2
NH2
NH2
O2
O3'
C4'
OP1
OP1
O3'
OP1
OP2
O2
C4'
OP1
6iy3 1 A0A310TTQ1 95.0 8e-66 EM
2019-04-03 ARG A:14 A:49 110.0 0.489 H -71.8 -26.7 110.0 0.489 0.0 DT
DT
DG
DA
DA
DA
DC
DC
DG
DA
7.115
5.897
6.609
6.103
3.582
2.887
7.287
9.781
7.718
7.089
NH2
NH2
NH2
NH1
NH1
NH1
O
CG
CG
NH1
O2
C4'
OP1
O3'
C4'
OP1
OP1
O3'
OP1
OP2
ARG E:14 E:49 112.0 0.498 H -73.5 -28.5 112.0 0.498 0.0 DG
DC
DA
DA
DC
DT
DT
DT
DG
DC
DA
DG
8.078
5.787
3.292
4.415
8.749
9.918
7.634
6.746
7.769
7.125
5.426
7.204
NH2
NH1
NH1
CD
O
CG
CG
NH1
NH2
NH2
NH2
NH2
N2
O3'
C5'
OP1
OP2
O3'
OP1
OP1
N2
O3'
C4'
OP1
6ipu 1 P68431 95.92 1e-65 X-RAY
2020-01-15 ARG A:12 A:49 110.0 0.489 H -63.8 -46.0 110.0 0.489 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
DA
HOH
9.482
7.375
5.458
6.509
9.000
5.253
3.454
3.086
9.218
8.987
6.796
5.114
9.893
6.978
NH1
NH1
NH1
NH1
NH1
NH2
CD
CG
CG
N
NH2
NH2
NH2
O
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
OP2
O
ARG E:12 E:49 113.0 0.502 H -56.6 -44.5 113.0 0.502 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
DT
DT
DG
HOH
9.603
6.425
3.607
3.081
8.669
9.006
6.883
5.598
9.243
6.674
5.531
7.148
2.737
NH2
NH2
NH1
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
O
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C5'
OP1
O
6iq4 1 P68431 95.92 1e-65 X-RAY
2019-10-30 ARG A:12 A:49 109.0 0.484 H -64.9 -43.4 109.0 0.484 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
9.455
7.369
5.468
6.554
9.179
5.399
3.369
3.148
8.976
8.841
6.712
5.211
NH1
NH1
NH1
NH1
NH1
NH2
CD
CG
CG
N
NH2
NH2
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
O3'
OP2
ARG E:12 E:49 117.0 0.52 H -57.9 -40.9 117.0 0.52 0.0 DA
DT
DA
DT
DC
DA
DA
DC
DA
DT
DT
DG
HOH
9.977
6.238
3.441
3.104
8.675
9.020
6.878
5.736
9.350
6.882
5.700
7.172
7.318
NH2
NH2
NH2
CG
CG
N
N
NH2
NH1
NH1
NH1
NH2
O
N3
O3'
C5'
OP1
OP2
O3'
OP1
OP2
C2
O3'
C5'
OP1
O
6jxd 1 P68431 95.92 1e-65 X-RAY
2020-01-15 ARG A:12 A:49 112.0 0.498 H -55.9 -52.1 112.0 0.498 0.0 DA
DT
DA
DT
DA
DT
DA
DT
DG
DG
DT
DG
DC
9.723
8.050
5.785
6.893
9.470
6.094
3.156
3.298
8.498
9.109
6.784
4.845
9.786
CD
CD
NH1
NH1
NH1
NH2
CD
CD
O
N
N
NH2
NH2
C2
O3'
C4'
OP1
N3
O3'
O3'
OP1
OP1
O3'
OP1
OP2
OP2
7ccq 1 P68431 95.92 1e-65 EM
2020-10-07 ARG A:12 A:49 128.0 0.569 H -69.3 -35.2 128.0 0.569 0.0 DT
DC
DT
DC
DG
DA
DA
DT
DC
DC
DG
DC
DG
9.125
8.437
7.534
7.860
9.102
5.332
3.287
3.574
8.666
9.348
7.294
5.378
9.903
CD
CD
NH1
NH1
NH1
NH1
NH1
CD
CG
N
N
NH2
NH2
O2
O3'
C4'
OP1
N2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
OP2
ARG E:12 E:49 114.0 0.507 H -72.5 -29.6 114.0 0.507 0.0 DG
DA
DT
DG
DT
DA
DG
DT
DG
DA
DT
DC
DC
9.982
8.316
5.289
3.386
4.641
9.181
9.423
7.161
6.681
8.449
6.230
5.528
6.042
NH2
NH2
NH1
NH1
CD
O
N
N
NH1
NH2
NH2
NH2
NH2
N2
C2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
C2
O3'
O3'
OP1
7ccr 1 P68431 95.92 1e-65 EM
2020-10-07 ARG A:12 A:49 133.0 0.591 H -67.5 -39.2 133.0 0.591 0.0 DT
DC
DT
DC
DG
DA
DA
DT
DC
DC
DG
DC
8.612
7.867
8.207
9.456
9.715
6.112
3.322
2.939
6.963
9.808
7.551
5.550
CD
CD
N
NH1
NH1
NH1
NH1
NE
O
N
NH2
NH2
O2
C4'
OP1
OP1
N2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
ARG E:12 E:49 106.0 0.471 H -73.0 -28.5 106.0 0.471 0.0 DG
DA
DT
DG
DT
DA
DG
DT
DG
DA
DT
DC
DC
9.408
8.112
4.563
3.311
4.657
9.564
9.391
7.269
6.616
8.516
6.245
5.680
6.146
NH2
NH2
NH1
NH1
O
O
CG
NE
NH1
NH2
NH2
NH2
NH2
N2
C2
O3'
C5'
OP1
OP2
O3'
OP1
OP2
C2
O3'
O3'
OP1
ARG L:12 L:49 130.0 0.578 H -67.6 -39.1 130.0 0.578 0.0 DT
DC
DT
DC
DG
DA
DA
DT
DC
DC
DG
DC
8.612
7.867
8.207
9.455
9.715
6.112
3.322
2.939
6.964
9.807
7.551
5.551
CD
CD
N
NH1
NH1
NH1
NH1
NE
O
N
NH2
NH2
O2
C4'
OP1
OP1
N2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
ARG P:12 P:49 106.0 0.471 H -73.1 -28.5 106.0 0.471 0.0 DG
DA
DT
DG
DT
DA
DG
DT
DG
DA
DT
DC
DC
9.408
8.112
4.563
3.311
4.657
9.565
9.391
7.269
6.615
8.516
6.245
5.680
6.146
NH2
NH2
NH1
NH1
O
O
CG
NE
NH1
NH2
NH2
NH2
NH2
N2
C2
O3'
C5'
OP1
OP2
O3'
OP1
OP2
C2
O3'
O3'
OP1
6ftx 1 S4RAZ3 95.88 3e-65 EM
2018-08-08 ARG A:12 A:49 158.0 0.702 H -59.2 -44.3 158.0 0.702 0.0 DA
DT
DC
DG
DT
DG
DT
DA
DG
DT
DG
9.198
5.703
3.701
7.720
9.295
5.980
5.794
7.822
9.572
7.174
9.736
NH2
NH2
NH2
NE
CD
CB
O
O
N
N
CB
O3'
O3'
OP1
OP1
O2
O3'
OP1
OP1
O3'
OP1
OP2
6z6p 5 A0A310TTQ1 95.88 3e-65 EM
2021-02-17 ARG E:12 A:49 140.0 0.622 H -65.4 -37.5 140.0 0.622 0.0 DA
DC
DA
DT
DC
DG
DG
DA
DT
DG
DT
DA
DG
DT
DG
9.761
7.832
4.370
4.959
4.894
7.484
8.276
5.845
2.434
2.514
3.433
9.410
9.628
7.871
8.599
NH2
NH2
NH2
NH1
CD
CD
NH1
NH1
NH2
NH2
O
O
N
CD
NH1
N1
O2
C2
O2
C5'
OP1
N2
N3
O2
O4'
OP1
OP2
O3'
OP1
OP2
3kwq 1 P84233 94.9 3e-65 X-RAY
2010-05-12 ARG A:12 A:49 109.0 0.484 H -80.9 -27.1 109.0 0.484 0.0 DA
DT
DT
DG
DA
DT
DA
DT
DC
DA
DA
DC
9.442
6.828
5.706
7.226
9.151
5.854
3.536
3.131
9.379
9.733
7.319
6.434
NH1
NH1
NH1
NH2
NH2
NH2
NH1
CD
O
N
N
NH2
C2
O3'
C5'
OP1
C2
O3'
O3'
OP1
OP2
O3'
OP1
OP2
ARG E:12 E:49 115.0 0.511 H -66.5 -39.4 115.0 0.511 0.0 DA
DT
DA
DT
DC
DG
DA
DA
DA
DT
DT
DG
9.891
6.167
3.226
2.759
8.630
9.438
6.632
5.532
9.414
7.064
6.282
7.026
NH1
NH2
CD
CD
O
NH2
NH2
NH2
NH1
NH1
NH1
NH2
C2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
C2
O3'
C4'
OP1
6jxd 5 P68431 95.88 4e-65 X-RAY
2020-01-15 ARG E:12 E:49 111.0 0.493 H -56.5 -44.8 111.0 0.493 0.0 DA
DT
DA
DT
DC
DC
DG
DC
DA
DT
DA
DT
9.258
5.649
3.331
3.199
8.371
9.150
6.551
4.848
8.905
7.781
5.722
7.146
NH1
NH2
CD
CG
O
N
NH2
NH2
NH1
NH1
NH1
NH1
C2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
C2
O2
C4'
OP1
7k6p 1 P84233 94.9 4e-65 EM
2021-02-10 ARG A:13 A:49 124.0 0.551 H -61.3 -43.7 124.0 0.551 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
DC
9.355
7.958
6.619
8.214
9.086
5.156
3.335
3.404
8.498
8.880
6.507
4.758
9.763
NH1
CD
NH1
NH1
NH1
NH1
NH1
CG
O
N
N
NH2
NH2
C2
O3'
C4'
OP1
C2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
OP2
ARG E:13 E:49 114.0 0.507 H -62.9 -39.1 114.0 0.507 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
8.827
4.877
3.157
3.635
8.925
8.911
6.622
5.021
8.895
7.187
5.737
8.106
NE
NH2
NH1
NH1
O
N
NH2
NH2
CD
CD
CD
NE
N2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
O2
O3'
C5'
OP1
7k6q 1 P84233 94.9 4e-65 EM
2021-02-10 ARG A:13 A:49 128.0 0.569 H -62.2 -45.7 128.0 0.569 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
DC
9.579
8.269
7.129
8.700
9.309
5.119
3.196
3.474
7.994
8.920
6.521
4.749
9.740
NH1
CD
NH1
NH1
NH1
NH1
NH1
CG
O
N
N
NH2
NH2
C2
O3'
C4'
OP1
N3
O3'
C5'
OP1
OP1
O3'
OP1
OP2
OP2
ARG E:13 E:49 97.0 0.431 H -62.4 -39.0 97.0 0.431 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DG
DT
DC
DT
DC
8.589
4.895
3.010
3.508
8.879
8.805
6.588
4.830
9.897
8.824
6.620
5.775
8.181
NE
NH2
NH1
NH1
O
N
NH2
NH2
NH2
CD
CD
CD
NE
N2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
O2
O3'
C5'
OP1
6y5d 1 Q71DI3 95.92 4e-65 EM
2020-09-23 ARG A:12 A:50 100.0 0.444 H -59.1 -44.6 100.0 0.444 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
9.840
7.945
6.018
7.210
9.467
6.369
4.532
3.818
9.570
9.511
7.333
5.744
NH2
NH2
NH2
NH2
NH2
NH1
NH2
CD
CG
N
N
NH1
C2
O3'
C4'
OP1
C2
O3'
C5'
OP1
OP2
O3'
OP1
OP2
ARG E:12 E:50 95.0 0.422 H -60.6 -44.7 95.0 0.422 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DC
DT
DC
8.145
6.970
4.544
3.719
9.041
9.797
7.640
6.055
7.347
5.361
6.750
NH2
NH1
NH1
CD
CG
N
N
NH1
NH2
NH2
NH2
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
C2'
C4'
OP1
ARG M:12 M:50 102.0 0.453 H -58.8 -44.6 102.0 0.453 0.0 DT
DC
DC
DT
DG
DT
DG
DT
DG
8.779
6.917
7.824
6.449
4.423
4.170
9.026
6.958
5.681
NH2
NH2
NH2
NH2
NH2
CD
N
N
NH1
O2
C4'
OP1
O3'
C5'
OP1
O3'
OP1
OP2
ARG Q:12 Q:50 93.0 0.413 H -59.3 -44.9 93.0 0.413 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
7.856
6.939
4.616
3.818
9.160
9.582
7.407
5.903
9.862
6.939
4.756
6.230
NH2
NH1
CD
CD
CG
N
NH1
NH1
NH2
NH2
NH2
NH2
N2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
O2
C2'
C4'
OP1
5mlu 1 P84233 95.88 8e-65 X-RAY
2017-05-10 ARG A:11 A:49 104.0 0.462 H -65.9 -41.7 104.0 0.462 0.0 DT
DC
DT
DG
DG
DA
DA
DT
DC
DC
DG
DC
HOH
9.416
8.773
6.404
6.954
8.182
5.298
3.252
3.244
8.573
9.084
6.777
5.210
2.910
NH2
NH2
NH2
NH2
NH2
NH1
CD
CD
O
N
N
NH1
NH2
O2
O3'
C4'
OP1
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O
ARG E:11 E:49 114.0 0.507 H -65.7 -35.1 114.0 0.507 0.0 DT
DG
DT
DA
DG
DT
DG
DA
DT
DC
DG
HOH
5.812
3.321
3.158
7.861
9.189
6.939
6.046
8.948
6.767
4.957
6.970
9.818
NH1
NH1
CD
CG
N
N
NH1
NH2
NH2
NH2
NH2
NH1
O3'
C4'
OP1
OP1
O3'
OP1
OP2
C2
O3'
C4'
OP1
O
6z6p 9 P84233 95.88 8e-65 EM
2021-02-17 ARG I:11 E:49 124.0 0.551 H -66.4 -29.8 124.0 0.551 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DG
6.801
5.219
3.336
3.516
9.702
8.267
5.956
7.641
8.221
6.412
4.734
8.045
NH1
NH2
NH2
CD
O
NH2
NH2
NH2
NH1
NH1
NH1
NH1
N2
O3'
C5'
OP1
OP2
O3'
OP1
OP2
O2
O3'
C5'
OP1
6ftx 5 P02302 95.88 1e-64 EM
2018-08-08 ARG E:24 E:49 100.0 0.444 H -64.5 -56.7 100.0 0.444 0.0 DG
DC
7.765
6.364
NH1
NH1
C3'
OP2
6y5e 1 Q71DI3 95.83 8e-64 EM
2020-09-23 ARG A:12 A:50 98.0 0.436 H -59.1 -44.8 98.0 0.436 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
9.114
7.178
5.305
6.951
8.782
6.050
4.011
3.569
9.227
9.724
7.472
6.292
NH2
NH2
NH2
NH2
NH2
NH1
NH1
CD
CG
N
N
NH1
C2
O2
C4'
OP1
C2
O3'
C5'
OP1
OP1
O3'
OP1
OP2
ARG E:12 E:50 108.0 0.48 H -61.3 -44.3 108.0 0.48 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DT
DC
DT
DC
8.050
6.753
3.967
3.368
8.870
9.779
7.622
6.444
9.696
7.192
5.470
7.120
NH2
NH1
NH1
CD
CG
N
N
NH1
NH2
NH2
NH2
NH2
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
O2
C2'
C4'
OP1
6ke9 1 P68431 95.83 2e-63 X-RAY
2020-04-22 ARG A:10 A:49 107.0 0.476 H -61.1 -43.5 107.0 0.476 0.0 DG
DG
DT
DG
DC
DC
DT
DA
DA
DA
DC
8.033
8.349
6.221
6.392
5.197
3.539
3.836
7.941
9.098
6.829
5.005
NH1
NH1
NH1
NH1
NH2
CD
CG
O
N
NH2
NH2
N2
O3'
O3'
OP1
O3'
O3'
OP1
OP1
O3'
O3'
OP2
ARG E:10 E:49 114.0 0.507 H -62.0 -42.3 114.0 0.507 0.0 DT
DA
DG
DG
DG
DG
DT
DT
DT
DA
DA
DG
9.359
5.722
3.896
3.098
7.220
9.456
6.884
5.315
9.779
8.251
5.788
6.863
NH1
NH2
NH2
NE
O
NH2
NH2
NH2
NH1
NH1
NH1
NH1
O2
O3'
C5'
OP1
OP1
O3'
O3'
OP2
O2
O3'
C4'
OP1
6l9h 1 P68431 95.83 2e-63 X-RAY
2020-04-22 ARG A:10 A:49 104.0 0.462 H -67.8 -41.1 104.0 0.462 0.0 DG
DG
DG
DT
DG
DC
DC
DT
DA
DA
DA
DC
9.833
9.530
8.839
6.606
6.661
5.403
2.991
3.266
8.479
9.066
6.881
5.332
CD
CD
NH1
NH1
NH1
NH2
CD
CD
O
N
NH1
NH2
N2
N2
O3'
C4'
OP1
O3'
O3'
OP1
OP1
O3'
OP1
OP2
ARG E:10 E:49 112.0 0.498 H -69.2 -39.7 112.0 0.498 0.0 DT
DA
DG
DG
DG
DG
DT
DT
DA
DA
DA
DG
9.972
5.709
4.220
2.954
7.341
9.226
6.955
5.239
9.991
8.340
5.757
7.044
NH1
NH2
CD
NE
O
NH2
NH2
NH2
NH2
NH1
NH1
NH1
O2
O3'
O3'
OP1
OP1
O3'
O3'
OP2
OP2
O3'
C4'
OP1
6le9 1 P68431 95.83 2e-63 X-RAY
2020-04-22 ARG A:10 A:49 109.0 0.484 H -71.1 -42.8 109.0 0.484 0.0 DA
DA
DG
DA
DG
DG
DG
DG
DT
DT
9.193
6.618
7.006
5.604
2.827
3.451
7.884
9.021
6.683
5.277
NH1
NH1
NH1
NH2
CD
CD
O
N
NH1
NH2
O3'
C4'
OP1
O3'
O3'
OP1
OP1
O3'
OP1
OP2
ARG E:10 E:49 119.0 0.529 H -72.2 -41.4 119.0 0.529 0.0 DC
DC
DC
DT
DA
DA
DA
DC
DC
DG
DG
DT
DG
9.727
5.782
3.905
2.794
7.401
9.210
6.983
5.069
9.544
9.117
8.614
6.198
6.808
NH1
NH2
CD
CD
O
NH2
NH2
NH2
NH2
CD
NH1
NH1
NH1
O2
O3'
O3'
OP1
OP1
O3'
C3'
OP2
OP2
N2
O3'
C4'
OP1
4x23 3 P02299 96.77 7e-62 X-RAY
2014-12-10 ARG C:10 A:49 118.0 0.524 H -66.2 -34.8 118.0 0.524 0.0 DA
DT
DC
DC
DA
DT
DG
DT
DA
DG
DT
DG
DC
8.910
7.513
6.181
7.757
8.764
5.156
3.375
3.664
8.391
9.017
6.616
4.877
9.951
NH1
NH1
NH1
NH1
NH1
NH1
NH1
CG
O
N
NH2
NH2
NH2
C2
O2
C4'
OP1
C2
O3'
C5'
OP1
OP1
O3'
O3'
OP2
OP2
ARG G:10 E:49 103.0 0.458 H -65.7 -38.9 103.0 0.458 0.0 DG
DA
DA
DT
DC
DC
DG
DC
DG
DT
DC
DT
DC
7.980
4.790
3.483
3.324
8.723
8.983
6.893
5.656
9.986
9.872
7.704
5.303
5.890
NH2
NH1
CD
CG
O
N
N
NH1
NH1
NH2
NH2
NH2
NH2
N2
O3'
O3'
OP1
OP1
O3'
OP1
OP2
OP2
O2
O2
C4'
OP1
ARG O:10 K:49 48.0 NA H -66.1 -38.2 NA NA NA
ARG S:10 O:49 128.0 0.569 H -66.8 -38.5 NA NA NA

AlphaFold DB

Entity Residue Monomer View
ID Entity Uniprot Identity Evalue Name Label Auth ASA rASA SS φ ψ
af-p84243-f1 1 P84243 100.0 2e-96 ARG A:50 A:50 116.0 0.516 H -69.8 -40.3
af-q71di3-f1 1 Q71DI3 97.06 4e-94 ARG A:50 A:50 111.0 0.493 H -69.6 -40.4
af-p68431-f1 1 P68431 96.32 3e-93 ARG A:50 A:50 112.0 0.498 H -69.3 -40.4
af-q16695-f1 1 Q16695 93.38 3e-91 ARG A:50 A:50 109.0 0.484 H -71.0 -40.4
af-q5tec6-f1 1 Q5TEC6 94.12 4e-91 ARG A:50 A:50 112.0 0.498 H -70.5 -40.1
af-q6nxt2-f1 1 Q6NXT2 95.59 2e-90 ARG A:49 A:49 109.0 0.484 H -70.2 -39.8
af-p0dpk5-f1 1 P0DPK5 82.35 3e-78 ARG A:50 A:50 117.0 0.52 H -67.3 -42.4
af-p0dpk2-f1 1 P0DPK2 82.09 6e-77 ARG A:50 A:50 127.0 0.564 H -68.0 -41.3