Variant

Genome Chromosome Position VCF ID Ref Alt mRNA Change mRNA Info
GRCh37 chr12 31944769 . G A CCDS31769.1:NM_001013699.2:c.332gCc>gTc_NP_001013721.2:p.111A>V Homo sapiens H3 histone family member 3C (H3F3C), 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)
4z5t 1 Q6NXT2 100.0 4e-96 X-RAY
 2016-02-10 ALA A:114 A:110 0.0 0.0 H -66.1 -49.4 0.0 0.0 0.0 DC
DT
DG
 9.379
7.258
8.534
 O
CB
O
 O3'
OP1
OP2
ALA E:114 E:110 0.0 0.0 H -64.6 -48.0 0.0 0.0 0.0 DT
DG
DA
 8.798
6.386
8.553
 O
O
O
 O3'
OP1
OP2
4hga 2 P84243 95.59 4e-90 X-RAY
 2012-11-07 ALA B:112 B:111 26.0 0.226 -89.9 99.3 14.0 0.122 0.104 A:Q9UER7:0.104
 HOH
 4.159
 CB
 O
6ltj 1 Q6PI79 95.59 4e-90 EM
 2020-02-12 ALA A:112 A:108 0.0 0.0 H -75.9 -36.0 0.0 0.0 0.0 DG
DA
 8.807
6.544
 O
O
 O3'
OP1
ALA E:112 E:111 0.0 0.0 H -75.9 -35.9 0.0 0.0 0.0 DC
DG
DC
 8.736
6.310
8.449
 O
O
O
 O3'
OP1
OP2
6r0c 1 P84243 95.59 4e-90 EM
 2019-09-25 ALA A:112 A:111 0.0 0.0 H -74.8 -37.3 0.0 0.0 0.0 DT
DT
DG
 9.343
7.041
9.510
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 1.0 0.009 H -73.3 -36.1 1.0 0.009 0.0 DT
DG
DC
 9.632
7.243
9.416
 O
O
O
 O3'
OP1
OP2
6rny 1 P84243 95.59 4e-90 EM
 2019-09-25 ALA A:112 A:111 0.0 0.0 H -65.4 -41.1 0.0 0.0 0.0 DT
DT
DG
 8.357
5.977
8.757
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -65.4 -41.1 0.0 0.0 0.0 DT
DG
DC
 9.023
6.855
9.263
 O
O
O
 O3'
OP2
OP2
3av2 1 P84243 95.59 4e-90 X-RAY
 2011-06-01 ALA A:115 A:111 0.0 0.0 H -62.7 -50.1 0.0 0.0 0.0 DC
DT
DG
HOH
 9.359
6.918
8.495
5.985
 O
CB
O
N
 O3'
OP1
OP2
O
ALA E:115 E:111 0.0 0.0 H -63.7 -56.5 0.0 0.0 0.0 DT
DG
DA
HOH
 9.236
6.735
8.722
6.031
 CB
CB
O
CB
 O3'
OP1
OP2
O
5b32 1 P84243 95.59 4e-90 X-RAY
 2016-08-03 ALA A:115 A:111 0.0 0.0 H -68.5 -46.8 0.0 0.0 0.0 DC
DT
DG
HOH
 8.789
6.405
8.159
5.851
 O
O
O
CB
 O3'
OP1
OP2
O
ALA E:115 E:111 0.0 0.0 H -66.8 -48.6 0.0 0.0 0.0 DT
DG
DA
HOH
 8.963
6.562
8.625
5.884
 O
O
O
CB
 O3'
OP1
OP2
O
5b33 1 P84243 95.59 4e-90 X-RAY
 2016-08-03 ALA A:115 A:111 0.0 0.0 H -61.9 -44.7 0.0 0.0 0.0 DC
DT
DG
 9.257
6.958
8.524
 O
O
O
 O3'
OP1
OP2
ALA E:115 E:111 0.0 0.0 H -59.7 -50.0 0.0 0.0 0.0 DT
DG
DA
 9.326
6.937
8.807
 O
CB
O
 O3'
OP1
OP2
5x7x 1 P84243 95.59 4e-90 X-RAY
 2017-04-19 ALA A:115 A:111 0.0 0.0 H -63.2 -45.1 0.0 0.0 0.0 DC
DT
DG
HOH
 9.126
6.956
8.102
5.714
 O
CB
O
O
 O3'
OP1
OP2
O
ALA E:115 E:111 0.0 0.0 H -64.8 -44.8 0.0 0.0 0.0 DT
DG
DA
CL
HOH
 8.805
6.441
8.432
9.900
6.027
 O
O
O
CB
CB
 O3'
OP1
OP2
CL
O
5xm0 1 P84244 95.59 4e-90 X-RAY
 2018-03-07 ALA A:115 A:111 0.0 0.0 H -55.9 -49.0 0.0 0.0 0.0 DC
DT
DG
HOH
 9.206
6.896
8.388
5.703
 O
O
O
C
 O3'
OP1
OP2
O
ALA E:115 E:111 0.0 0.0 H -53.3 -51.9 0.0 0.0 0.0 DT
DG
DA
 9.226
6.803
8.661
 O
CB
O
 O3'
OP1
OP2
6a5l 16 P84243 95.59 4e-90 EM
 2018-10-03 ALA P:115 a:111 0.0 0.0 H -70.3 -38.0 0.0 0.0 0.0 DC
DG
DC
 9.215
6.838
8.980
 O
O
O
 O3'
OP1
OP2
ALA T:115 e:111 0.0 0.0 H -69.0 -35.0 0.0 0.0 0.0 DG
DA
DC
 9.775
7.534
9.137
 O
O
O
 O3'
OP1
OP2
6a5o 16 P84243 95.59 4e-90 EM
 2018-10-03 ALA P:115 a:111 0.0 0.0 H -67.5 -49.6 0.0 0.0 0.0 DC
DG
DC
 8.897
6.569
9.511
 O
O
O
 O3'
OP1
OP2
ALA T:115 e:111 0.0 0.0 H -68.6 -29.3 0.0 0.0 0.0 DG
DA
DC
 8.485
6.095
8.307
 O
O
O
 O3'
OP1
OP2
6a5p 16 P84243 95.59 4e-90 EM
 2018-10-03 ALA P:115 a:111 0.0 0.0 H -67.5 -49.6 0.0 0.0 0.0 DC
DG
DC
 9.618
7.185
9.785
 O
O
O
 O3'
OP1
OP2
ALA T:115 e:111 0.0 0.0 H -68.6 -29.2 0.0 0.0 0.0 DG
DA
DC
 8.648
6.226
8.357
 O
O
O
 O3'
OP1
OP2
6a5r 16 P84243 95.59 4e-90 EM
 2018-10-03 ALA P:115 a:111 0.0 0.0 H -67.5 -49.7 0.0 0.0 0.0 DC
DG
DC
 9.619
7.185
9.786
 O
O
O
 O3'
OP1
OP2
ALA T:115 e:111 0.0 0.0 H -68.6 -29.2 0.0 0.0 0.0 DG
DA
DC
 8.649
6.227
8.358
 O
O
O
 O3'
OP1
OP2
6a5t 16 P84243 95.59 4e-90 EM
 2018-10-03 ALA P:115 a:111 0.0 0.0 H -70.3 -38.0 0.0 0.0 0.0 DC
DG
DC
 9.215
6.837
8.981
 O
O
O
 O3'
OP1
OP2
ALA T:115 e:111 0.0 0.0 H -69.0 -35.0 0.0 0.0 0.0 DG
DA
DC
 9.775
7.534
9.138
 O
O
O
 O3'
OP1
OP2
6a5u 16 P84243 95.59 4e-90 EM
 2018-10-03 ALA P:115 a:111 0.0 0.0 H -70.3 -38.0 0.0 0.0 0.0 DC
DG
DC
 9.216
6.838
8.981
 O
O
O
 O3'
OP1
OP2
ALA T:115 e:111 0.0 0.0 H -69.1 -35.0 0.0 0.0 0.0 DG
DA
DC
 9.774
7.533
9.137
 O
O
O
 O3'
OP1
OP2
6inq 16 P84243 95.59 4e-90 EM
 2019-04-03 ALA P:115 a:111 0.0 0.0 H -70.2 -38.0 0.0 0.0 0.0 DC
DG
DC
 9.216
6.839
8.981
 O
O
O
 O3'
OP1
OP2
ALA T:115 e:111 0.0 0.0 H -69.1 -35.1 0.0 0.0 0.0 DG
DA
DC
 9.775
7.534
9.136
 O
O
O
 O3'
OP1
OP2
6ir9 19 P84243 95.59 4e-90 EM
 2019-02-20 ALA S:115 a:111 0.0 0.0 H -70.3 -37.9 0.0 0.0 0.0 DC
DG
DC
 9.216
6.838
8.981
 O
O
O
 O3'
OP1
OP2
ALA W:115 e:111 0.0 0.0 H -69.0 -35.0 0.0 0.0 0.0 DG
DA
DC
 9.773
7.534
9.137
 O
O
O
 O3'
OP1
OP2
6j4w 19 P84243 95.59 4e-90 EM
 2019-02-20 ALA S:115 a:111 0.0 0.0 H -67.5 -49.6 0.0 0.0 0.0 DC
DG
DC
 9.618
7.186
9.787
 O
O
O
 O3'
OP1
OP2
ALA W:115 e:111 0.0 0.0 H -68.6 -29.4 0.0 0.0 0.0 DG
DA
DC
 8.647
6.226
8.357
 O
O
O
 O3'
OP1
OP2
6j4x 19 P84243 95.59 4e-90 EM
 2019-02-20 ALA S:115 a:111 0.0 0.0 H -70.4 -37.8 0.0 0.0 0.0 DC
DG
DC
 9.216
6.837
8.981
 O
O
O
 O3'
OP1
OP2
ALA W:115 e:111 0.0 0.0 H -68.9 -35.1 0.0 0.0 0.0 DG
DA
DC
 9.772
7.533
9.137
 O
O
O
 O3'
OP1
OP2
6j4y 19 P84243 95.59 4e-90 EM
 2019-02-20 ALA S:115 a:111 0.0 0.0 H -70.4 -37.8 0.0 0.0 0.0 DC
DG
DC
 9.215
6.838
8.983
 O
O
O
 O3'
OP1
OP2
ALA W:115 e:111 0.0 0.0 H -68.9 -35.1 0.0 0.0 0.0 DG
DA
DC
 9.774
7.534
9.137
 O
O
O
 O3'
OP1
OP2
6j4z 18 P84243 95.59 4e-90 EM
 2019-02-20 ALA R:115 a:111 0.0 0.0 H -70.4 -38.0 0.0 0.0 0.0 DC
DG
DC
 9.217
6.838
8.982
 O
O
O
 O3'
OP1
OP2
ALA V:115 e:111 0.0 0.0 H -69.2 -35.0 0.0 0.0 0.0 DG
DA
DC
 9.773
7.532
9.137
 O
O
O
 O3'
OP1
OP2
6j50 18 P84243 95.59 4e-90 EM
 2019-02-20 ALA R:115 a:111 0.0 0.0 H -70.4 -37.9 0.0 0.0 0.0 DC
DG
DC
 9.217
6.838
8.982
 O
O
O
 O3'
OP1
OP2
ALA V:115 e:111 0.0 0.0 H -69.1 -35.1 0.0 0.0 0.0 DG
DA
DC
 9.774
7.532
9.137
 O
O
O
 O3'
OP1
OP2
6j51 19 P84243 95.59 4e-90 EM
 2019-02-20 ALA S:115 a:111 1.0 0.009 H -70.5 -37.9 1.0 0.009 0.0 DC
DG
DC
 9.216
6.839
8.983
 O
O
O
 O3'
OP1
OP2
ALA W:115 e:111 0.0 0.0 H -69.1 -35.0 0.0 0.0 0.0 DG
DA
DC
 9.774
7.533
9.137
 O
O
O
 O3'
OP1
OP2
3wtp 5 P84243 95.59 7e-90 X-RAY
 2014-12-03 ALA E:116 E:111 0.0 0.0 H -62.3 -42.0 0.0 0.0 0.0 DT
DG
DA
 8.831
6.485
8.758
 O
O
O
 O3'
OP1
OP2
5kdm 1 P84243 95.56 4e-89 X-RAY
 2016-09-07 ALA A:111 A:111 31.0 0.27 -141.0 116.1 12.0 0.104 0.166 C:Q9UER7:0.165
7a08 6 P84243 95.56 4e-89 EM
 2020-09-23 ALA F:111 d:111 0.0 0.0 H -84.4 -44.9 0.0 0.0 0.0 DG
DA
DC
 9.414
7.211
8.981
 O
O
O
 O3'
OP1
OP2
ALA J:111 h:111 0.0 0.0 H -99.7 -38.9 0.0 0.0 0.0 DC
DG
DC
 9.471
7.232
8.767
 O
O
O
 O3'
OP1
OP2
5xm1 1 ? 94.12 1e-88 X-RAY
 2018-03-07 ALA A:115 A:111 0.0 0.0 H -61.0 -53.5 0.0 0.0 0.0 DC
DT
DG
 9.233
6.918
8.521
 O
CB
O
 O3'
OP1
OP2
ALA E:115 E:111 0.0 0.0 H -65.5 -53.9 0.0 0.0 0.0 DT
DG
DA
 9.061
6.742
8.651
 CB
CB
O
 O3'
OP1
OP2
5gxq 1 ? 93.38 2e-88 X-RAY
 2017-04-19 ALA A:115 A:111 0.0 0.0 H -61.3 -44.1 0.0 0.0 0.0 DC
DT
DG
 9.122
6.768
8.435
 O
O
O
 O3'
OP1
OP2
ALA E:115 E:111 0.0 0.0 H -57.1 -53.8 0.0 0.0 0.0 DT
DG
DA
 9.251
6.816
8.790
 O
CB
O
 O3'
OP1
OP2
1eqz 4 P84229 94.12 3e-88 X-RAY
 2000-04-17 ALA E:112 C:111 0.0 0.0 H -66.6 -51.1 0.0 0.0 0.0 DC
DG
DG
HOH
 9.081
6.615
8.223
5.858
 CB
CB
O
CB
 O3'
OP1
OP2
O
ALA I:112 G:111 0.0 0.0 H -66.7 -48.6 0.0 0.0 0.0 DG
DG
DA
HOH
 8.993
6.629
8.359
5.095
 O
CB
O
O
 O3'
OP1
OP2
O
1hq3 3 P84229 94.12 3e-88 X-RAY
 2001-01-24 ALA C:112 C:111 0.0 0.0 H -76.5 -45.1 0.0 0.0 0.0 CL
HOH
 6.985
5.655
 O
O
 CL
O
ALA G:112 G:111 0.0 0.0 H -66.1 -47.7 0.0 0.0 0.0 CL
HOH
 7.188
5.798
 O
CB
 CL
O
1tzy 3 P84229 94.12 3e-88 X-RAY
 2004-08-03 ALA C:112 C:111 0.0 0.0 H -67.4 -46.5 0.0 0.0 0.0 CL
HOH
 7.077
5.239
 O
O
 CL
O
ALA G:112 G:111 0.0 0.0 H -58.4 -50.5 0.0 0.0 0.0 CL
HOH
 7.108
5.215
 O
O
 CL
O
2aro 3 P84229 94.12 3e-88 X-RAY
 2005-08-30 ALA C:112 C:111 0.0 0.0 H -63.0 -49.9 0.0 0.0 0.0 CL
HOH
 7.010
5.692
 O
CB
 CL
O
ALA G:112 G:111 0.0 0.0 H -66.1 -48.8 0.0 0.0 0.0 CL
HOH
 7.120
5.708
 O
CB
 CL
O
2f8n 2 P84233 94.12 3e-88 X-RAY
 2006-05-23 ALA C:112 A:511 0.0 0.0 H -74.5 -51.0 0.0 0.0 0.0 DC
DG
DG
 9.276
6.842
8.553
 CB
CB
O
 O3'
OP1
OP2
ALA F:112 E:711 0.0 0.0 H -64.7 -45.4 0.0 0.0 0.0 DC
DG
DG
HOH
 9.024
6.561
8.214
6.186
 CB
CB
O
CB
 O3'
OP1
OP2
O
2hio 3 P84229 94.12 3e-88 X-RAY
 2000-01-12 ALA C:112 C:111 0.0 0.0 H -54.5 -49.8 0.0 0.0 0.0
4kgc 1 P84233 94.12 3e-88 X-RAY
 2014-03-26 ALA A:112 A:111 0.0 0.0 H -59.2 -45.4 0.0 0.0 0.0 DC
DT
DG
 9.018
6.666
8.243
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -60.5 -50.2 0.0 0.0 0.0 DC
DT
DG
 9.080
6.604
8.314
 CB
CB
O
 O3'
OP1
OP2
4ld9 1 P84233 94.12 3e-88 X-RAY
 2013-08-14 ALA A:112 A:111 0.0 0.0 H -88.3 -51.8 0.0 0.0 0.0 DG
DA
DC
 8.784
6.344
8.827
 CB
CB
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -79.6 -51.7 0.0 0.0 0.0 DC
DG
DC
 9.242
6.961
8.543
 O
O
O
 O3'
OP1
OP2
4uuz 1 P02299 94.12 3e-88 X-RAY
 2015-02-11 ALA A:112 A:111 0.0 0.0 H -62.3 -52.6 0.0 0.0 0.0
5kgf 1 P84233 94.12 3e-88 EM
 2016-07-27 ALA A:112 A:111 2.0 0.017 H -57.1 -30.3 2.0 0.017 0.0 DC
DG
DC
 8.345
5.959
8.475
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 1.0 0.009 H -57.0 -30.3 1.0 0.009 0.0 DG
DA
DC
 8.441
5.967
8.142
 CB
CB
CB
 O3'
OP1
OP2
5x0x 1 P84233 94.12 3e-88 EM
 2017-04-19 ALA A:112 A:111 0.0 0.0 H -53.5 -43.4 0.0 0.0 0.0 DG
DA
DC
 9.215
7.026
9.078
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -53.4 -43.5 0.0 0.0 0.0 DC
DG
DC
 9.399
6.923
8.777
 O
O
O
 O3'
OP1
OP2
6dzt 1 P02299 94.12 3e-88 EM
 2019-05-22 ALA A:112 A:111 0.0 0.0 H -75.1 -39.4 0.0 0.0 0.0 DG
DA
DC
 9.199
7.182
8.611
 O
O
O
 O3'
OP2
OP2
ALA E:112 E:111 0.0 0.0 H -69.2 -41.8 0.0 0.0 0.0 DC
DG
DC
 9.231
7.118
8.536
 O
O
O
 O3'
OP1
OP2
6kw3 2 P84233 94.12 3e-88 EM
 2019-11-13 ALA B:112 N:111 0.0 0.0 H -69.9 -37.2 0.0 0.0 0.0 DG
DA
DC
 8.771
6.708
9.115
 O
O
O
 O3'
OP1
OP2
ALA D:112 Q:111 0.0 0.0 H -67.6 -37.8 0.0 0.0 0.0 DC
DG
DC
 8.688
6.464
8.803
 O
O
O
 O3'
OP1
OP2
6kw4 1 P84233 94.12 3e-88 EM
 2019-11-13 ALA A:112 N:111 0.0 0.0 H -64.1 -40.1 0.0 0.0 0.0 DG
DA
DC
 9.191
6.888
9.174
 O
O
O
 O3'
OP1
OP2
ALA D:112 Q:111 0.0 0.0 H -69.0 -38.7 0.0 0.0 0.0 DC
DG
DC
 9.084
7.099
8.535
 O
O
O
 O3'
OP1
OP1
6kw5 16 P84233 94.12 3e-88 EM
 2020-09-09 ALA Q:112 R:111 0.0 0.0 H -69.2 -31.7 0.0 0.0 0.0 DG
DA
DC
 9.279
6.936
9.426
 O
O
O
 O3'
OP1
OP2
ALA T:112 V:111 0.0 0.0 H -79.1 -31.2 0.0 0.0 0.0 DC
DG
DC
 9.538
7.141
9.026
 O
O
O
 O3'
OP1
OP2
6o22 4 P84233 94.12 3e-88 NMR
SOLUTION SCATTERING
 2019-07-31 ALA E:112 E:111 0.0 0.0 H -62.6 -47.2 0.0 0.0 0.0
6pwe 1 P02299 94.12 3e-88 EM
 2019-08-21 ALA A:112 A:111 0.0 0.0 H -101.7 -45.1 0.0 0.0 0.0 DG
DA
DC
 9.134
6.836
8.568
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -101.7 -45.1 0.0 0.0 0.0 DC
DG
DC
 9.061
6.816
9.131
 O
O
O
 O3'
OP1
OP2
6pwf 1 P02299 94.12 3e-88 EM
 2019-08-21 ALA A:112 A:111 0.0 0.0 H -74.0 -47.2 0.0 0.0 0.0 DG
DA
 9.575
7.466
 O
O
 O3'
OP1
ALA E:112 E:111 0.0 0.0 H -74.0 -47.2 0.0 0.0 0.0 DC
DG
DC
 9.688
7.496
8.570
 O
O
O
 O3'
OP1
OP2
6wkr 9 P84233 94.12 3e-88 EM
 2021-02-03 ALA I:112 I:111 2.0 0.017 H -55.3 -47.4 2.0 0.017 0.0 DC
DA
 7.665
9.398
 O
O
 OP1
OP2
ALA M:112 O:111 1.0 0.009 H -54.3 -40.6 1.0 0.009 0.0 DA
DC
DG
 9.596
7.175
9.900
 O
O
O
 O3'
OP1
OP2
7jo9 1 Q71DI3 94.12 3e-88 EM
 2020-09-16 ALA A:112 A:111 0.0 0.0 H -64.6 -50.2 0.0 0.0 0.0 DG
DA
DC
 10.000
7.594
9.256
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -61.0 -41.6 0.0 0.0 0.0 DC
DG
DC
 9.652
7.284
9.192
 O
O
O
 O3'
OP1
OP2
7joa 1 Q71DI3 94.12 3e-88 EM
 2020-09-16 ALA A:112 A:111 0.0 0.0 H -63.1 -42.6 0.0 0.0 0.0 DG
DA
DC
 9.729
7.348
9.103
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -64.5 -40.6 0.0 0.0 0.0 DC
DG
DC
 9.805
7.416
9.184
 O
O
O
 O3'
OP1
OP2
7kbd 1 P84233 94.12 3e-88 EM
 2021-09-15 ALA A:112 A:111 0.0 0.0 H -72.8 -46.6 0.0 0.0 0.0 DG
DA
DC
 9.526
7.378
8.643
 O
O
O
 O3'
OP2
OP2
ALA E:112 E:111 0.0 0.0 H -72.9 -46.6 0.0 0.0 0.0 DC
DG
DC
 9.272
6.864
8.900
 O
O
O
 O3'
OP1
OP2
7kbe 1 P84233 94.12 3e-88 EM
 2021-09-15 ALA A:112 A:111 0.0 0.0 H -64.5 -41.4 0.0 0.0 0.0 DG
DA
DC
 9.308
7.258
8.651
 O
O
O
 O3'
OP2
OP2
ALA E:112 E:111 0.0 0.0 H -65.2 -42.9 0.0 0.0 0.0 DC
DG
DC
 9.108
6.786
8.795
 O
O
O
 O3'
OP1
OP2
7kbf 1 P84233 94.12 3e-88 EM
 2021-09-15 ALA A:112 A:111 1.0 0.009 H -64.2 -41.8 1.0 0.009 0.0 DC
DG
DG
 9.346
7.156
8.952
 O
CB
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -57.4 -50.8 0.0 0.0 0.0 DC
DG
DG
 9.870
7.629
9.567
 O
O
O
 O3'
OP1
OP2
3av1 1 Q71DI3 94.12 4e-88 X-RAY
 2011-06-01 ALA A:115 A:111 0.0 0.0 H -67.8 -45.0 0.0 0.0 0.0 DC
DT
DG
HOH
 9.106
6.714
8.259
4.772
 O
O
O
O
 O3'
OP1
OP2
O
ALA E:115 E:111 0.0 0.0 H -70.4 -52.5 0.0 0.0 0.0 DT
DG
DA
HOH
 9.150
6.716
8.670
5.942
 CB
CB
O
CB
 O3'
OP1
OP2
O
5b0z 1 Q71DI3 94.12 4e-88 X-RAY
 2016-01-27 ALA A:115 A:111 0.0 0.0 H -65.6 -43.9 0.0 0.0 0.0 DC
DT
DG
HOH
 9.053
6.694
8.179
5.078
 O
CB
O
O
 O3'
OP1
OP2
O
ALA E:115 E:111 0.0 0.0 H -66.5 -43.0 0.0 0.0 0.0 DT
DG
DA
CL
HOH
 8.957
6.667
8.728
9.914
6.015
 O
O
O
CB
CB
 O3'
OP1
OP2
CL
O
6g0l 1 Q92133 93.38 1e-87 EM
 2018-08-22 GLY A:112 A:111 2.0 0.027 H -59.9 -42.9 2.0 0.027 0.0 DC
DG
DC
 8.801
6.449
8.722
 O
O
O
 O3'
OP1
OP2
GLY E:112 E:111 1.0 0.013 H -61.2 -43.0 1.0 0.013 0.0 DG
DA
DC
 7.635
5.260
8.455
 O
O
O
 O3'
OP1
OP2
6vz4 1 Q92133 93.38 1e-87 EM
 2020-12-02 GLY A:112 A:112 1.0 0.013 H -60.4 -42.3 1.0 0.013 0.0 DG
DA
DC
 9.092
6.755
8.500
 O
O
O
 O3'
OP1
OP2
GLY E:112 E:112 1.0 0.013 H -61.6 -44.2 1.0 0.013 0.0 DC
DG
DC
 9.219
6.882
8.427
 O
O
O
 O3'
OP1
OP2
5b0y 1 Q71DI3 93.38 2e-87 X-RAY
 2016-01-27 ALA A:112 A:111 0.0 0.0 H -65.0 -47.5 0.0 0.0 0.0 DC
DT
DG
 9.133
6.802
8.384
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -62.4 -52.6 0.0 0.0 0.0 DT
DG
DA
 9.130
6.798
8.829
 O
CB
O
 O3'
OP1
OP2
3lel 1 P84233 93.38 2e-87 X-RAY
 2010-05-19 ALA A:112 A:111 1.0 0.009 H -66.6 -42.4 1.0 0.009 0.0 DA
DA
DG
 9.083
6.791
8.295
 O
CB
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -46.5 -54.4 0.0 0.0 0.0 DA
DA
DG
 8.838
6.535
8.913
 O
O
O
 O3'
OP1
OP2
ALA K:112 K:111 0.0 0.0 H -52.3 -51.5 NA NA NA
ALA O:112 O:111 0.0 0.0 H -63.2 -56.2 NA NA NA
4zux 1 P84233 93.38 2e-87 X-RAY
 2016-02-24 ALA A:112 A:111 2.0 0.017 H -53.5 -52.7 2.0 0.017 0.0 DC
DG
DC
 8.990
6.693
8.933
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 1.0 0.009 H -49.5 -57.7 1.0 0.009 0.0 DG
DA
DC
 9.231
6.774
8.320
 O
O
O
 O3'
OP1
OP2
ALA K:112 K:111 2.0 0.017 H -53.8 -52.7 NA NA NA
ALA O:112 O:111 4.0 0.035 H -53.5 -52.6 NA NA NA
5e5a 2 P84233 93.38 2e-87 X-RAY
 2016-02-03 ALA C:112 A:111 0.0 0.0 H -62.3 -50.5 0.0 0.0 0.0 DC
DG
DG
HOH
 9.238
7.125
8.072
6.197
 O
O
O
C
 O3'
OP1
OP2
O
ALA G:112 E:111 0.0 0.0 H -61.1 -51.1 0.0 0.0 0.0 DG
DG
DA
HOH
 9.040
6.603
8.350
5.856
 O
CB
O
CB
 O3'
OP1
OP2
O
5o9g 1 P84233 93.38 2e-87 EM
 2017-10-11 ALA A:112 A:111 1.0 0.009 H -74.3 -31.0 1.0 0.009 0.0 DC
DG
 9.085
6.655
 O
O
 O3'
OP1
ALA E:112 E:111 0.0 0.0 H -71.2 -43.9 0.0 0.0 0.0 DG
DA
DC
 8.842
6.527
8.828
 O
O
O
 O3'
OP1
OP2
6i84 1 P84233 93.38 2e-87 EM
 2019-01-02 ALA A:112 M:111 0.0 0.0 H -74.0 -20.0 0.0 0.0 0.0 DC
DG
 9.266
7.121
 O
O
 O3'
OP1
ALA H:112 S:111 8.0 0.07 H -66.6 -37.9 2.0 0.017 0.053 B:P06897:0.035
I:P62799:0.026
 DG
DA
 9.848
7.403
 O
O
 O3'
OP1
6j99 1 A0A310TTQ1 93.38 2e-87 EM
 2019-02-27 ALA A:112 A:111 0.0 0.0 H -69.4 -37.9 0.0 0.0 0.0 DC
DG
DC
 8.982
6.568
8.693
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -69.2 -38.0 0.0 0.0 0.0 DG
DA
DC
 8.534
6.282
9.238
 O
O
O
 O3'
OP1
OP2
6ne3 1 P84233 93.38 2e-87 EM
 2019-07-17 ALA A:112 A:111 0.0 0.0 H -71.1 -34.7 0.0 0.0 0.0 DC
DG
DC
 9.167
6.810
8.598
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -75.4 -10.7 0.0 0.0 0.0 DG
DG
DG
 8.368
5.983
8.659
 O
O
O
 O3'
OP1
OP2
6pwv 4 P84233 93.38 2e-87 EM
 2019-12-18 ALA D:112 G:111 5.0 0.043 H -62.7 -32.3 5.0 0.043 0.0 DG
DA
DC
 9.402
7.110
9.144
 O
O
O
 O3'
OP2
OP2
ALA H:112 K:111 5.0 0.043 H -62.7 -32.3 5.0 0.043 0.0 DC
DG
DC
 8.915
6.724
9.076
 O
O
O
 O3'
OP1
OP2
6pww 4 P84233 93.38 2e-87 EM
 2019-12-18 ALA D:112 G:111 0.0 0.0 H -65.1 -38.3 0.0 0.0 0.0 DG
DA
DC
 9.265
6.891
8.687
 O
O
O
 O3'
OP1
OP2
ALA H:112 K:111 0.0 0.0 H -65.2 -38.3 0.0 0.0 0.0 DC
DG
DC
 8.952
6.601
8.634
 O
O
O
 O3'
OP1
OP2
6pwx 2 P84233 93.38 2e-87 EM
 2019-12-18 ALA B:112 G:111 0.0 0.0 H -67.8 -48.2 0.0 0.0 0.0 DG
DA
DC
 8.709
6.345
8.886
 O
O
O
 O3'
OP1
OP2
ALA F:112 K:111 0.0 0.0 H -67.8 -48.2 0.0 0.0 0.0 DC
DG
DC
 8.969
6.550
8.927
 O
O
O
 O3'
OP1
OP2
6ryr 1 P84233 93.38 2e-87 EM
 2020-07-15 ALA A:112 A:111 0.0 0.0 H -62.0 -45.6 0.0 0.0 0.0 DC
DG
DC
 8.677
6.272
8.387
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -61.2 -44.6 0.0 0.0 0.0 DG
DA
DC
 9.012
6.601
8.792
 O
O
O
 O3'
OP1
OP2
6ryu 1 P84233 93.38 2e-87 EM
 2020-07-15 ALA A:112 A:111 0.0 0.0 H -74.5 -31.1 0.0 0.0 0.0 DC
DG
DC
 8.432
6.128
8.792
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -75.8 -17.4 0.0 0.0 0.0 DG
DA
DC
 8.377
5.966
8.884
 O
O
O
 O3'
OP1
OP2
6w5i 5 P84233 93.38 2e-87 EM
 2021-03-31 ALA E:112 G:111 5.0 0.043 H -62.8 -32.2 5.0 0.043 0.0 DG
DA
DC
 9.222
6.907
8.973
 O
O
O
 O3'
OP2
OP2
ALA I:112 K:111 6.0 0.052 H -62.7 -32.3 6.0 0.052 0.0 DC
DG
DC
 9.046
6.859
9.196
 O
O
O
 O3'
OP1
OP2
6w5m 5 P84233 93.38 2e-87 EM
 2021-03-31 ALA E:112 G:111 5.0 0.043 H -62.7 -32.3 5.0 0.043 0.0 DG
DA
DC
 9.942
7.626
9.629
 O
O
O
 O3'
OP2
OP2
ALA I:112 K:111 5.0 0.043 H -62.7 -32.2 5.0 0.043 0.0 DC
DG
DC
 9.210
7.030
9.480
 O
O
O
 O3'
OP1
OP2
6w5n 5 P84233 93.38 2e-87 EM
 2021-03-31 ALA E:112 G:111 5.0 0.043 H -62.8 -32.3 5.0 0.043 0.0 DG
DA
DC
 9.949
7.631
9.692
 O
O
O
 O3'
OP2
OP2
ALA I:112 K:111 6.0 0.052 H -62.7 -32.2 6.0 0.052 0.0 DC
DG
DC
 9.224
7.043
9.215
 O
CB
O
 O3'
OP1
OP2
7nkx 11 P84233 93.38 2e-87 EM
 2021-08-25 ALA K:112 a:111 0.0 0.0 H -62.7 -44.7 0.0 0.0 0.0 DC
DG
DC
 9.268
6.854
8.601
 O
CB
O
 O3'
OP1
OP2
ALA O:112 e:111 0.0 0.0 H -62.7 -42.5 0.0 0.0 0.0 DG
DA
DC
 9.788
7.441
9.129
 O
O
O
 O3'
OP1
OP2
7nky 20 P84233 93.38 2e-87 EM
 2021-07-07 ALA T:112 a:111 0.0 0.0 H -62.1 -43.7 0.0 0.0 0.0 DC
DG
DC
 8.778
6.400
9.073
 CB
CB
O
 O3'
OP1
OP2
ALA X:112 e:111 0.0 0.0 H -64.6 -45.0 0.0 0.0 0.0 DG
DA
DC
 8.808
6.436
8.582
 CB
CB
O
 O3'
OP1
OP2
6nzo 1 A0A310TTQ1 93.38 3e-87 EM
 2019-08-28 ALA A:112 A:111 0.0 0.0 H -58.3 -49.2 0.0 0.0 0.0 DG
DA
DC
 9.173
7.105
8.941
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -61.9 -52.5 0.0 0.0 0.0 DC
DG
DC
 9.678
7.443
9.122
 O
O
O
 O3'
OP1
OP2
6px1 1 A0A310TTQ1 93.38 3e-87 EM
 2019-08-28 ALA A:112 A:111 0.0 0.0 H -75.1 -39.6 0.0 0.0 0.0 DG
DA
DC
 9.023
6.964
8.655
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -69.1 -41.7 0.0 0.0 0.0 DC
DG
DC
 9.117
6.950
8.502
 O
O
O
 O3'
OP1
OP2
6px3 1 A0A310TTQ1 93.38 3e-87 EM
 2019-08-28 ALA A:112 A:111 0.0 0.0 H -58.3 -49.1 0.0 0.0 0.0 DG
DA
DC
 9.174
7.104
8.941
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -62.0 -52.4 0.0 0.0 0.0 DC
DG
DC
 9.679
7.443
9.122
 O
O
O
 O3'
OP1
OP2
6t79 1 Q71DI3 93.38 4e-87 EM
 2020-04-29 ALA A:112 A:111 0.0 0.0 H -88.2 -32.5 0.0 0.0 0.0 DG
DG
DT
 8.731
6.479
9.221
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -85.1 -31.0 0.0 0.0 0.0 DA
DA
DT
 8.657
6.329
8.498
 O
O
O
 O3'
OP1
OP2
6t7a 1 Q71DI3 93.38 4e-87 EM
 2020-04-29 ALA A:112 A:111 0.0 0.0 H -74.9 -33.6 0.0 0.0 0.0 DG
DG
DT
 8.472
6.205
8.628
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -81.3 -38.7 0.0 0.0 0.0 DA
DA
DT
 8.696
6.398
8.460
 O
O
O
 O3'
OP1
OP2
6t7b 1 Q71DI3 93.38 4e-87 EM
 2020-04-29 ALA A:112 A:111 19.0 NA H -74.9 -33.6 19.0 NA NA DG
DG
DT
 8.473
6.205
8.627
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 18.0 NA H -81.3 -38.7 18.0 NA NA DA
DA
DT
 8.695
6.397
8.460
 O
O
O
 O3'
OP1
OP2
6t7c 1 Q71DI3 93.38 4e-87 EM
 2020-04-29 ALA A:112 A:111 0.0 0.0 H -74.6 -33.5 0.0 0.0 0.0 DG
DG
DT
 8.470
6.199
8.613
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -81.4 -38.5 0.0 0.0 0.0 DA
DA
DT
 8.774
6.450
8.499
 O
O
O
 O3'
OP1
OP2
6t7d 1 Q71DI3 93.38 4e-87 EM
 2020-04-29 ALA A:112 A:111 21.0 NA H -73.9 -24.6 21.0 NA NA DG
DG
DT
 8.837
6.470
9.732
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 19.0 NA H -66.5 -34.9 19.0 NA NA DA
DA
DT
 9.355
6.946
9.438
 O
O
O
 O3'
OP1
OP2
2io5 2 P84233 94.07 4e-87 X-RAY
 2007-02-27 ALA B:111 B:111 11.0 0.096 H -47.0 -50.0 11.0 0.096 0.0
2nqb 2 P02299 94.07 4e-87 X-RAY
 2007-09-11 ALA C:111 A:511 0.0 0.0 H -64.4 -47.4 0.0 0.0 0.0 DC
DG
DG
HOH
 8.990
6.599
8.121
6.064
 O
CB
O
CB
 O3'
OP1
OP2
O
ALA G:111 E:711 0.0 0.0 H -63.1 -48.8 0.0 0.0 0.0 DG
DG
DA
HOH
 8.998
6.575
8.394
5.043
 CB
CB
O
O
 O3'
OP1
OP2
O
2pyo 3 P02299 94.07 4e-87 X-RAY
 2007-11-06 ALA C:111 A:111 0.0 0.0 H -66.7 -42.7 0.0 0.0 0.0 DT
DG
DG
HOH
 8.895
6.530
8.238
4.595
 O
O
O
O
 O3'
OP1
OP2
O
ALA G:111 E:111 0.0 0.0 H -65.1 -52.7 0.0 0.0 0.0 DT
DG
DG
CL
HOH
 9.093
6.667
8.596
9.934
5.979
 CB
CB
O
CB
CB
 O3'
OP1
OP2
CL
O
3c9k 3 P84229 94.07 4e-87 EM
 2009-01-06 ALA C:111 C:111 0.0 0.0 H -54.6 -49.8 0.0 0.0 0.0
ALA G:111 G:111 0.0 0.0 H -54.6 -49.8 0.0 0.0 0.0
4qlc 3 P02299 94.07 4e-87 X-RAY
 2015-07-22 ALA C:111 A:111 0.0 0.0 H -57.9 -51.0 0.0 0.0 0.0 DC
DG
DC
 9.005
6.678
7.894
 O
O
O
 O3'
OP1
OP2
ALA G:111 E:111 0.0 0.0 H -59.9 -54.9 0.0 0.0 0.0 DG
DA
DC
 8.995
6.648
8.358
 O
O
O
 O3'
OP1
OP2
5x0y 1 P84233 94.07 4e-87 EM
 2017-04-19 ALA A:111 A:111 1.0 0.009 H -59.5 -41.3 1.0 0.009 0.0 DG
DA
DC
 9.244
6.808
9.964
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 1.0 0.009 H -59.4 -41.4 1.0 0.009 0.0 DC
DG
DC
 8.888
6.498
9.326
 O
CB
O
 O3'
OP1
OP2
6fml 9 Q71DI3 94.07 4e-87 EM
 2018-04-25 ALA M:111 M:111 0.0 0.0 H -66.2 -44.1 0.0 0.0 0.0 DC
DG
DC
 8.963
6.592
8.570
 O
O
O
 O3'
OP1
OP2
ALA Q:111 Q:111 0.0 0.0 H -75.1 -43.4 0.0 0.0 0.0 DG
DA
DC
 8.807
6.390
8.400
 O
O
O
 O3'
OP1
OP2
7eg6 2 P84233 94.07 4e-87 EM
 2022-01-12 ALA B:111 A:111 0.0 0.0 H -68.8 -35.8 0.0 0.0 0.0 DG
DA
DC
 8.916
6.599
8.772
 O
O
O
 O3'
OP1
OP2
ALA F:111 E:111 0.0 0.0 H -74.5 -36.2 0.0 0.0 0.0 DC
DG
DC
 9.147
6.835
8.781
 O
O
O
 O3'
OP1
OP2
7egp 11 P84233 94.07 4e-87 EM
 2022-01-12 ALA L:111 O:111 0.0 0.0 H -69.8 -54.5 0.0 0.0 0.0 DC
DG
DC
 8.297
6.238
7.066
 O
O
O
 O3'
OP2
OP2
ALA P:111 S:111 0.0 0.0 H -75.4 -42.1 0.0 0.0 0.0 DG
DA
DC
 9.061
6.709
8.521
 O
O
O
 O3'
OP1
OP2
7enn 2 P84233 94.07 4e-87 EM
 2021-07-14 ALA B:111 A:111 0.0 0.0 H -70.0 -40.1 0.0 0.0 0.0 DG
DA
DC
 9.281
6.943
8.717
 O
O
O
 O3'
OP1
OP2
ALA F:111 E:111 0.0 0.0 H -69.1 -41.1 0.0 0.0 0.0 DC
DG
DC
 9.492
7.421
8.824
 O
O
O
 O3'
OP1
OP2
5b40 1 Q71DI3 93.38 4e-87 X-RAY
 2016-06-22 ALA A:115 A:111 1.0 0.009 H -61.2 -60.6 1.0 0.009 0.0 DC
DT
DG
 9.471
7.362
8.861
 O
O
O
 O3'
OP2
OP2
ALA E:115 E:111 1.0 0.009 H -61.7 -58.9 1.0 0.009 0.0 DT
DG
DA
 9.071
6.671
8.787
 CB
CB
O
 O3'
OP1
OP2
7cow 3 P68431 93.38 5e-87 X-RAY
 2021-08-11 ALA C:114 A:111 0.0 0.0 H -42.5 -52.3 0.0 0.0 0.0 DG
DA
DC
 9.089
6.669
8.451
 O
O
O
 O3'
OP1
OP2
ALA G:114 E:111 0.0 0.0 H -39.6 -60.1 0.0 0.0 0.0 DC
DG
DC
 9.191
6.714
8.588
 O
O
O
 O3'
OP1
OP2
ALA K:114 K:111 0.0 0.0 H -56.5 -66.1 0.0 0.0 0.0 DC
DG
DC
 9.610
7.233
9.670
 CB
CB
O
 O3'
OP1
OP2
ALA O:114 O:111 0.0 0.0 H -60.6 -65.4 0.0 0.0 0.0 DG
DA
DC
 9.506
7.017
8.848
 O
CB
O
 O3'
OP1
OP2
1u35 2 P68433 93.38 5e-87 X-RAY
 2005-09-27 ALA C:112 A:511 0.0 0.0 H -66.0 -53.7 0.0 0.0 0.0 DC
DG
DG
HOH
 9.355
6.941
8.518
5.875
 CB
CB
O
CB
 O3'
OP1
OP2
O
ALA G:112 E:711 0.0 0.0 H -63.3 -52.0 0.0 0.0 0.0 DC
DG
DG
HOH
 9.035
6.629
8.134
5.938
 O
CB
O
CB
 O3'
OP1
OP2
O
2cv5 2 P68431 93.38 5e-87 X-RAY
 2005-06-28 ALA C:112 A:111 0.0 0.0 H -68.0 -50.5 0.0 0.0 0.0 DC
DT
DG
HOH
 9.167
6.787
8.364
6.152
 O
O
O
CB
 O3'
OP1
OP2
O
ALA G:112 E:111 0.0 0.0 H -65.1 -45.0 0.0 0.0 0.0 DT
DG
DA
CL
HOH
 8.940
6.546
8.524
9.893
6.112
 O
O
O
CB
O
 O3'
OP1
OP2
CL
O
5c3i 2 P68431 93.38 5e-87 X-RAY
 2015-07-29 ALA B:112 B:111 2.0 0.017 H -66.8 -42.8 NA NA NA
ALA F:112 F:111 1.0 0.009 H -67.7 -39.8 NA NA NA
ALA J:112 J:111 5.0 0.043 H -75.0 -43.4 5.0 0.043 0.0
ALA N:112 N:111 1.0 0.009 H -67.3 -45.9 NA NA NA
ALA R:112 R:111 3.0 0.026 H -78.9 -31.8 NA NA NA
ALA V:112 V:111 0.0 0.0 H -71.5 -35.4 NA NA NA
5xf3 1 P68431 93.38 5e-87 X-RAY
 2017-10-11 ALA A:112 A:111 0.0 0.0 H -59.9 -46.9 0.0 0.0 0.0 DC
DT
DG
 9.023
6.606
8.451
 CB
CB
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -62.5 -46.8 0.0 0.0 0.0 DC
DT
DG
 9.159
6.742
8.404
 O
CB
O
 O3'
OP1
OP2
5xf4 1 P68431 93.38 5e-87 X-RAY
 2017-10-11 ALA A:112 A:111 0.0 0.0 H -57.3 -48.0 0.0 0.0 0.0 DC
DT
DG
 9.026
6.568
8.465
 CB
CB
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -58.2 -55.0 0.0 0.0 0.0 DC
DT
DG
 9.097
6.651
8.460
 CB
CB
O
 O3'
OP1
OP2
5xf5 1 P68431 93.38 5e-87 X-RAY
 2017-10-11 ALA A:112 A:111 0.0 0.0 H -55.4 -46.0 0.0 0.0 0.0 DC
DT
DG
 9.007
6.615
8.315
 O
CB
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -64.0 -47.2 0.0 0.0 0.0 DC
DT
DG
 9.037
6.587
8.381
 CB
CB
O
 O3'
OP1
OP2
6hts 5 P68431 93.38 5e-87 EM
 2018-11-07 ALA I:112 I:111 0.0 0.0 H -61.4 -44.7 0.0 0.0 0.0 DC
DG
DC
 8.838
6.446
9.807
 O
O
O
 O3'
OP1
OP2
ALA M:112 M:111 0.0 0.0 H -67.4 -44.0 0.0 0.0 0.0 DG
DA
DC
 9.127
6.695
8.505
 O
CB
O
 O3'
OP1
OP2
6l9z 1 P68431 93.38 5e-87 X-RAY
 2021-02-17 ALA A:112 A:111 0.0 0.0 H -61.8 -52.4 0.0 0.0 0.0 DC
DG
DC
CL
CA
HOH
 9.305
6.893
8.640
9.947
9.971
5.910
 O
CB
O
CB
O
CB
 O3'
OP1
OP2
CL
CA
O
ALA E:112 E:111 0.0 0.0 H -69.6 -48.1 0.0 0.0 0.0 DG
DA
DC
HOH
 9.156
6.839
8.737
6.015
 O
O
O
CB
 O3'
OP1
OP2
O
ALA K:112 K:111 0.0 0.0 H -63.3 -52.6 0.0 0.0 0.0 DG
DA
DC
CL
HOH
 9.213
6.751
8.709
9.850
6.099
 CB
CB
O
CB
CB
 O3'
OP1
OP2
CL
O
ALA O:112 O:111 0.0 0.0 H -68.4 -52.1 0.0 0.0 0.0 DC
DG
DC
CL
HOH
 9.223
6.760
8.432
9.973
5.908
 O
CB
O
CB
CB
 O3'
OP1
OP2
CL
O
6la2 1 P68431 93.38 5e-87 X-RAY
 2021-02-17 ALA A:112 e:111 0.0 0.0 H -62.6 -58.1 0.0 0.0 0.0 DG
DA
DC
 9.406
6.989
8.505
 O
CB
O
 O3'
OP1
OP2
ALA E:112 i:111 0.0 0.0 H -62.7 -58.1 0.0 0.0 0.0 DC
DG
DC
 9.510
7.106
8.970
 O
CB
O
 O3'
OP1
OP2
ALA K:112 A:111 0.0 0.0 H -62.9 -58.2 0.0 0.0 0.0 DG
DA
DC
 9.375
6.995
8.416
 O
CB
O
 O3'
OP1
OP2
ALA O:112 E:111 0.0 0.0 H -62.8 -57.9 0.0 0.0 0.0 DC
DG
DC
 9.535
7.153
8.717
 O
CB
O
 O3'
OP1
OP2
ALA U:112 K:111 0.0 0.0 H -62.9 -58.1 0.0 0.0 0.0 DG
DA
DC
 9.305
7.007
8.521
 O
CB
O
 O3'
OP1
OP2
ALA Y:112 O:111 0.0 0.0 H -62.6 -58.3 0.0 0.0 0.0 DC
DG
DC
 9.175
6.737
8.507
 CB
CB
O
 O3'
OP1
OP2
ALA EA:112 U:111 0.0 0.0 H -62.8 -58.0 0.0 0.0 0.0 DG
DA
DC
 9.458
7.087
8.697
 O
CB
O
 O3'
OP1
OP2
ALA IA:112 Y:111 0.0 0.0 H -62.9 -58.0 0.0 0.0 0.0 DC
DG
DC
 9.346
6.921
8.442
 CB
CB
O
 O3'
OP1
OP2
6la8 1 P68431 93.38 5e-87 X-RAY
 2020-10-07 ALA A:112 A:111 0.0 0.0 H -52.5 -59.1 0.0 0.0 0.0 DC
DG
DC
 9.226
6.908
8.417
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -52.3 -58.8 0.0 0.0 0.0 DG
DA
DC
 9.209
6.919
8.385
 O
CB
O
 O3'
OP1
OP2
ALA K:112 K:111 0.0 0.0 H -52.4 -58.9 0.0 0.0 0.0 DC
DG
DC
 9.033
6.663
8.588
 CB
O
O
 O3'
OP1
OP2
ALA O:112 O:111 0.0 0.0 H -52.6 -58.6 0.0 0.0 0.0 DG
DA
DC
 9.017
6.670
8.317
 O
O
O
 O3'
OP1
OP2
6la9 1 P68431 93.38 5e-87 X-RAY
 2020-10-07 ALA A:112 A:111 0.0 0.0 H -58.5 -59.6 0.0 0.0 0.0 DC
DG
DC
 9.164
6.716
8.485
 CB
CB
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -58.1 -59.4 0.0 0.0 0.0 DG
DA
DC
 9.195
6.719
8.584
 CB
CB
O
 O3'
OP1
OP2
ALA K:112 K:111 0.0 0.0 H -58.1 -59.7 0.0 0.0 0.0 DC
DG
DC
 8.953
6.552
8.350
 CB
CB
O
 O3'
OP1
OP2
ALA O:112 O:111 0.0 0.0 H -58.5 -59.4 0.0 0.0 0.0 DG
DA
DC
 8.668
6.373
8.370
 O
O
O
 O3'
OP2
OP2
6lab 1 P68431 93.38 5e-87 X-RAY
 2021-02-17 ALA A:112 A:111 0.0 0.0 H -61.8 -48.0 0.0 0.0 0.0 DC
DG
DG
 8.918
6.499
8.520
 CB
O
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -68.5 -54.4 0.0 0.0 0.0 DC
DG
DG
 8.888
6.477
8.420
 O
O
O
 O3'
OP1
OP2
ALA K:112 K:111 0.0 0.0 H -71.9 -43.9 0.0 0.0 0.0 DC
DG
DG
 8.804
6.456
8.351
 O
O
O
 O3'
OP1
OP2
ALA O:112 O:111 0.0 0.0 H -63.7 -51.7 0.0 0.0 0.0 DC
DG
DG
 8.702
6.477
8.143
 CB
CB
O
 O3'
OP1
OP2
6ler 1 P68431 93.38 5e-87 X-RAY
 2021-03-03 ALA A:112 K:111 0.0 0.0 H -59.4 -56.9 NA NA NA
ALA E:112 O:111 0.0 0.0 H -56.5 -48.3 NA NA NA
ALA K:112 A:111 0.0 0.0 H -61.8 -48.5 0.0 0.0 0.0 DC
DG
DC
HOH
 8.704
6.346
8.747
6.047
 O
O
O
CB
 O3'
OP1
OP2
O
ALA O:112 E:111 0.0 0.0 H -60.2 -54.0 0.0 0.0 0.0 DG
DA
DC
 9.076
6.762
8.787
 O
O
O
 O3'
OP1
OP2
6m3v 1 P68431 93.38 5e-87 X-RAY
 2020-10-07 ALA A:112 A:111 0.0 0.0 H -50.0 -45.5 0.0 0.0 0.0 DG
DA
DC
 9.007
6.678
9.218
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -49.9 -45.8 0.0 0.0 0.0 DC
DG
DC
 8.849
6.413
8.590
 O
O
O
 O3'
OP1
OP2
ALA K:112 K:111 0.0 0.0 H -50.5 -45.5 0.0 0.0 0.0 DC
DG
DC
 8.766
6.725
9.921
 O
CB
O
 O3'
OP1
P
ALA O:112 O:111 0.0 0.0 H -50.9 -44.9 0.0 0.0 0.0 DG
DA
DC
 8.963
6.654
8.333
 O
O
O
 O3'
OP1
OP2
6m44 1 P68431 93.38 5e-87 X-RAY
 2020-10-07 ALA A:112 A:111 0.0 0.0 H -58.9 -61.4 0.0 0.0 0.0 DG
DA
DC
 9.460
7.121
8.449
 O
CB
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -58.7 -61.3 0.0 0.0 0.0 DC
DG
DC
 8.914
6.495
8.447
 CB
CB
O
 O3'
OP1
OP2
ALA K:112 K:111 0.0 0.0 H -58.7 -61.4 0.0 0.0 0.0 DC
DG
 9.381
7.030
 CB
CB
 O3'
OP1
ALA O:112 O:111 0.0 0.0 H -58.9 -61.1 0.0 0.0 0.0 DG
DA
DC
 9.289
7.067
8.034
 O
CB
O
 O3'
OP1
OP2
6m4d 1 P68431 93.38 5e-87 EM
 2020-09-23 ALA A:112 A:111 0.0 0.0 H -61.6 -45.8 0.0 0.0 0.0 DG
DA
DC
 9.305
7.166
9.458
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -61.7 -45.8 0.0 0.0 0.0 DC
DG
DC
 9.376
7.405
9.037
 O
O
O
 O3'
OP1
OP2
6m4g 3 P68431 93.38 5e-87 EM
 2020-09-23 ALA C:112 A:111 0.0 0.0 H -83.3 -35.5 0.0 0.0 0.0 DC
DG
DC
 9.107
6.760
9.160
 O
O
O
 O3'
OP2
OP2
ALA F:112 E:111 0.0 0.0 H -83.3 -35.5 0.0 0.0 0.0 DG
DA
DC
 9.110
6.705
9.086
 O
O
O
 O3'
OP2
OP2
6m4h 3 P68431 93.38 5e-87 EM
 2020-09-23 ALA C:112 A:111 0.0 0.0 H -83.3 -35.5 0.0 0.0 0.0 DC
DG
DC
 9.361
7.269
9.226
 O
O
O
 O3'
OP2
OP2
ALA G:112 E:111 0.0 0.0 H -83.2 -35.5 0.0 0.0 0.0 DG
DA
DC
 8.813
6.693
9.011
 O
O
O
 O3'
OP2
OP2
6upk 1 P68431 93.38 5e-87 EM
 2019-12-11 ALA A:112 A:111 0.0 0.0 H -66.2 -32.7 0.0 0.0 0.0 DC
DG
 9.000
6.544
 O
O
 O3'
OP1
ALA E:112 E:111 9.0 0.078 H -74.8 -31.3 9.0 0.078 0.0 DG
DA
 9.791
7.317
 O
O
 O3'
OP1
6upl 1 P68431 93.38 5e-87 EM
 2019-12-11 ALA A:112 A:111 2.0 0.017 H -66.0 -43.1 2.0 0.017 0.0 DC
DG
DC
 9.055
6.981
9.050
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 20.0 0.174 H -63.5 -25.9 20.0 0.174 0.0 DG
DA
DC
 9.961
7.663
9.296
 O
O
O
 O3'
OP1
OP2
6v92 23 P68431 93.38 5e-87 EM
 2020-01-15 ALA BA:112 a:111 0.0 0.0 H -68.0 -50.4 0.0 0.0 0.0 DC
DT
DG
 9.168
6.787
8.364
 O
O
O
 O3'
OP1
OP2
ALA FA:112 e:111 0.0 0.0 H -65.1 -45.0 0.0 0.0 0.0 DT
DG
DA
 8.940
6.546
8.524
 O
O
O
 O3'
OP1
OP2
7dbp 2 P68431 93.38 5e-87 EM
 2020-12-23 ALA B:112 A:111 0.0 0.0 H -67.9 -37.4 0.0 0.0 0.0 DA
DC
DG
 9.493
7.102
9.630
 O
O
O
 O3'
OP1
OP2
ALA F:112 E:111 0.0 0.0 H -67.8 -37.4 0.0 0.0 0.0 DC
 8.225
 O
 OP1
7k5x 1 P68431 93.38 5e-87 EM
 2020-11-25 ALA A:112 A:111 0.0 0.0 H -61.3 -43.7 0.0 0.0 0.0 DG
DA
DC
 8.815
6.470
8.674
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -61.3 -44.6 0.0 0.0 0.0 DC
DG
DC
 9.139
6.791
8.631
 O
O
O
 O3'
OP1
OP2
7k5y 1 P68431 93.38 5e-87 EM
 2020-11-25 ALA A:112 A:111 0.0 0.0 H -61.9 -44.8 0.0 0.0 0.0 DG
DA
DC
 9.041
6.703
8.889
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -62.1 -43.6 0.0 0.0 0.0 DC
DG
DC
 9.240
6.961
8.732
 O
O
O
 O3'
OP1
OP2
7k60 1 P68431 93.38 5e-87 EM
 2020-11-25 ALA A:112 A:111 0.0 0.0 H -59.0 -43.6 0.0 0.0 0.0 DG
DA
DC
 8.795
6.468
8.593
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -60.4 -44.5 0.0 0.0 0.0 DC
DG
DC
 8.960
6.665
8.652
 O
O
O
 O3'
OP1
OP2
7k61 1 P68431 93.38 5e-87 EM
 2020-11-25 ALA A:112 A:111 0.0 0.0 H -61.7 -46.0 0.0 0.0 0.0 DG
DA
DC
 8.959
6.606
8.545
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -62.1 -44.6 0.0 0.0 0.0 DC
DG
DC
 9.136
6.983
8.556
 O
O
O
 O3'
OP1
OP2
7k63 1 P68431 93.38 5e-87 EM
 2020-11-25 ALA A:112 A:111 0.0 0.0 H -60.9 -44.8 0.0 0.0 0.0 DG
DA
DC
 8.809
6.418
8.541
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -62.1 -45.0 0.0 0.0 0.0 DC
DG
DC
 9.058
6.788
8.440
 O
O
O
 O3'
OP1
OP2
7nl0 1 P68431 93.38 5e-87 EM
 2021-08-11 ALA A:112 A:111 0.0 0.0 H -67.0 -40.7 0.0 0.0 0.0 DT
DA
DG
 9.130
6.954
8.547
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -62.9 -47.5 0.0 0.0 0.0 DC
DT
DT
 9.206
6.775
8.614
 O
O
O
 O3'
OP1
OP2
7v6q 2 P68431 93.38 5e-87 X-RAY
 2021-12-29 ALA B:112 B:111 2.0 0.017 H -77.7 -31.2 2.0 0.017 0.0 HOH
 7.346
 CA
 O
ALA F:112 F:111 2.0 0.017 H -77.4 -30.4 NA NA NA
3afa 1 P68431 93.38 6e-87 X-RAY
 2010-05-26 ALA A:115 A:111 0.0 0.0 H -66.8 -45.9 0.0 0.0 0.0 DC
DT
DG
CL
HOH
 9.046
6.668
8.353
9.911
4.840
 O
O
O
CB
O
 O3'
OP1
OP2
CL
O
ALA E:115 E:111 0.0 0.0 H -69.8 -52.3 0.0 0.0 0.0 DT
DG
DA
HOH
 9.164
6.727
8.772
5.019
 CB
CB
O
O
 O3'
OP1
OP2
O
3azi 1 P68431 93.38 6e-87 X-RAY
 2011-09-21 ALA A:115 A:111 0.0 0.0 H -69.0 -52.9 0.0 0.0 0.0 DC
DT
DG
HOH
 9.209
6.796
8.518
8.007
 CB
CB
O
C
 O3'
OP1
OP2
O
ALA E:115 E:111 0.0 0.0 H -88.7 -34.2 0.0 0.0 0.0 DT
DG
DA
HOH
 8.508
6.090
8.678
5.443
 O
O
O
CB
 O3'
OP1
OP2
O
3azj 1 P68431 93.38 6e-87 X-RAY
 2011-09-21 ALA A:115 A:111 0.0 0.0 H -66.4 -41.4 0.0 0.0 0.0 DC
DT
DG
CL
 9.055
6.634
8.209
9.863
 O
O
O
CB
 O3'
OP1
OP2
CL
ALA E:115 E:111 0.0 0.0 H -63.7 -53.1 0.0 0.0 0.0 DT
DG
DA
 9.215
6.734
8.667
 CB
CB
O
 O3'
OP1
OP2
3azk 1 P68431 93.38 6e-87 X-RAY
 2011-09-21 ALA A:115 A:111 0.0 0.0 H -68.4 -37.4 0.0 0.0 0.0 DC
DT
DG
 9.026
6.631
8.181
 O
O
O
 O3'
OP1
OP2
ALA E:115 E:111 0.0 0.0 H -58.1 -55.4 0.0 0.0 0.0 DT
DG
DA
CL
 9.018
6.566
8.550
9.860
 CB
CB
O
CB
 O3'
OP1
OP2
CL
3azl 1 P68431 93.38 6e-87 X-RAY
 2011-09-21 ALA A:115 A:111 0.0 0.0 H -69.0 -42.1 0.0 0.0 0.0 DC
DT
DG
CL
HOH
 9.071
6.704
8.245
9.891
6.070
 O
O
O
CB
N
 O3'
OP1
OP2
CL
O
ALA E:115 E:111 0.0 0.0 H -60.0 -56.2 0.0 0.0 0.0 DT
DG
DA
HOH
 9.272
6.847
8.626
5.316
 CB
CB
O
O
 O3'
OP1
OP2
O
3azm 1 P68431 93.38 6e-87 X-RAY
 2011-09-21 ALA A:115 A:111 0.0 0.0 H -73.0 -49.9 0.0 0.0 0.0 DC
DT
DG
 9.184
6.765
8.687
 O
O
O
 O3'
OP1
OP2
ALA E:115 E:111 0.0 0.0 H -65.1 -53.5 0.0 0.0 0.0 DT
DG
DA
 8.776
6.530
8.521
 CB
CB
O
 O3'
OP1
OP2
3azn 1 P68431 93.38 6e-87 X-RAY
 2011-09-21 ALA A:115 A:111 0.0 0.0 H -55.6 -43.6 0.0 0.0 0.0 DC
DT
DG
CL
 9.141
6.744
7.816
9.928
 O
O
O
CB
 O3'
OP1
OP2
CL
ALA E:115 E:111 0.0 0.0 H -62.5 -57.1 0.0 0.0 0.0 DT
DG
DA
 9.230
6.757
8.627
 CB
CB
O
 O3'
OP1
OP2
3w96 1 P68431 93.38 6e-87 X-RAY
 2013-08-28 ALA A:115 A:111 0.0 0.0 H -75.8 -45.7 0.0 0.0 0.0 DC
DT
DG
 9.040
6.648
9.116
 CB
O
O
 O3'
OP1
OP2
ALA E:115 E:111 0.0 0.0 H -75.8 -46.9 0.0 0.0 0.0 DT
DG
DA
 8.942
6.739
8.484
 CB
CB
O
 O3'
OP1
OP2
3w97 1 P68431 93.38 6e-87 X-RAY
 2013-08-28 ALA A:115 A:111 1.0 0.009 H -64.2 -40.1 1.0 0.009 0.0 DC
DT
DG
 8.922
6.447
8.480
 O
O
O
 O3'
OP1
OP2
ALA E:115 E:111 0.0 0.0 H -62.0 -41.9 0.0 0.0 0.0 DT
DG
DA
 9.114
6.780
8.597
 CB
O
O
 O3'
OP1
OP2
3w99 1 P68431 93.38 6e-87 X-RAY
 2013-08-28 ALA A:115 A:111 0.0 0.0 H -63.2 -42.2 0.0 0.0 0.0 DC
DT
DG
 9.305
6.916
8.378
 O
O
O
 O3'
OP1
OP2
ALA E:115 E:111 0.0 0.0 H -68.3 -47.6 0.0 0.0 0.0 DT
DG
DA
 9.116
6.738
8.607
 CB
CB
O
 O3'
OP1
OP2
3wa9 1 P68431 93.38 6e-87 X-RAY
 2013-12-18 ALA A:115 A:111 0.0 0.0 H -60.6 -45.6 0.0 0.0 0.0 DC
DT
DG
 9.176
6.789
8.443
 O
CB
O
 O3'
OP1
OP2
ALA E:115 E:111 0.0 0.0 H -56.9 -55.1 0.0 0.0 0.0 DT
DG
DA
 9.280
6.799
8.797
 O
CB
O
 O3'
OP1
OP2
3waa 1 P68431 93.38 6e-87 X-RAY
 2013-12-18 ALA A:115 A:111 0.0 0.0 H -67.4 -45.4 0.0 0.0 0.0 DC
DT
DG
 9.235
6.889
8.577
 O
O
O
 O3'
OP1
OP2
ALA E:115 E:111 0.0 0.0 H -65.7 -55.0 0.0 0.0 0.0 DT
DG
DA
 9.410
7.076
8.831
 O
O
O
 O3'
OP1
OP2
3wkj 1 P68431 93.38 6e-87 X-RAY
 2014-04-09 ALA A:115 A:111 0.0 0.0 H -63.9 -43.5 0.0 0.0 0.0 DC
DT
DG
HOH
 9.047
6.659
8.253
4.755
 O
O
O
O
 O3'
OP1
OP2
O
ALA E:115 E:111 0.0 0.0 H -60.8 -61.3 0.0 0.0 0.0 DT
DG
DA
HOH
 9.523
7.054
8.642
5.255
 CB
CB
O
O
 O3'
OP1
OP2
O
4ym5 1 P68431 93.38 6e-87 X-RAY
 2015-12-02 ALA A:115 A:111 0.0 0.0 H -77.0 -31.6 0.0 0.0 0.0 DC
DT
DG
 8.703
6.336
8.509
 O
O
O
 O3'
OP1
OP2
ALA E:115 E:111 0.0 0.0 H -78.2 -31.2 0.0 0.0 0.0 DC
DT
DG
 8.953
6.597
8.368
 O
O
O
 O3'
OP1
OP2
4ym6 1 P68431 93.38 6e-87 X-RAY
 2015-12-02 ALA A:115 A:111 0.0 0.0 H -42.7 -61.8 0.0 0.0 0.0 DC
DT
DG
 9.233
6.948
8.586
 O
O
O
 O3'
OP1
OP2
ALA E:115 E:111 0.0 0.0 H -45.0 -59.7 0.0 0.0 0.0 DT
DG
DA
 9.104
6.659
8.795
 CB
O
O
 O3'
OP1
OP2
5av5 1 P68431 93.38 6e-87 X-RAY
 2015-12-23 ALA A:115 A:111 0.0 0.0 H -64.9 -45.3 0.0 0.0 0.0 DT
DG
DG
HOH
 8.883
6.498
8.231
4.926
 O
O
O
O
 O3'
OP1
OP2
O
ALA E:115 E:111 0.0 0.0 H -68.5 -46.0 0.0 0.0 0.0 DT
DG
DG
HOH
 8.927
6.546
8.442
4.823
 O
O
O
O
 O3'
OP1
OP2
O
5av6 1 P68431 93.38 6e-87 X-RAY
 2015-12-23 ALA A:115 A:111 0.0 0.0 H -64.8 -47.2 0.0 0.0 0.0 DT
DG
DG
HOH
 8.930
6.545
8.210
5.093
 O
O
O
O
 O3'
OP1
OP2
O
ALA E:115 E:111 0.0 0.0 H -63.6 -48.5 0.0 0.0 0.0 DT
DG
DG
HOH
 8.967
6.565
8.383
5.120
 O
O
O
O
 O3'
OP1
OP2
O
5av8 1 P68431 93.38 6e-87 X-RAY
 2015-12-23 ALA A:115 A:111 0.0 0.0 H -59.6 -48.9 0.0 0.0 0.0 DT
DG
DG
HOH
 9.002
6.677
8.364
5.085
 O
CB
O
O
 O3'
OP1
OP2
O
ALA E:115 E:111 0.0 0.0 H -60.4 -48.9 0.0 0.0 0.0 DT
DG
DG
HOH
 8.991
6.645
8.445
5.030
 O
CB
O
O
 O3'
OP1
OP2
O
5av9 1 P68431 93.38 6e-87 X-RAY
 2015-12-23 ALA A:115 A:111 0.0 0.0 H -64.6 -47.3 0.0 0.0 0.0 DT
DG
DG
HOH
 8.974
6.610
8.301
5.033
 O
O
O
O
 O3'
OP1
OP2
O
ALA E:115 E:111 0.0 0.0 H -64.3 -48.2 0.0 0.0 0.0 DT
DG
DG
HOH
 9.002
6.631
8.385
5.092
 O
CB
O
O
 O3'
OP1
OP2
O
5avb 1 P68431 93.38 6e-87 X-RAY
 2015-12-23 ALA A:115 A:111 0.0 0.0 H -65.4 -44.3 0.0 0.0 0.0 DT
DG
DG
HOH
 8.920
6.539
8.236
4.950
 O
O
O
O
 O3'
OP1
OP2
O
ALA E:115 E:111 0.0 0.0 H -66.8 -42.4 0.0 0.0 0.0 DT
DG
DG
HOH
 8.930
6.537
8.425
6.143
 O
O
O
CB
 O3'
OP1
OP2
O
5avc 1 P68431 93.38 6e-87 X-RAY
 2015-12-23 ALA A:115 A:111 0.0 0.0 H -67.2 -44.1 0.0 0.0 0.0 DT
DG
DG
HOH
 8.880
6.507
8.242
6.080
 O
O
O
CB
 O3'
OP1
OP2
O
ALA E:115 E:111 0.0 0.0 H -69.5 -47.0 0.0 0.0 0.0 DT
DG
DG
HOH
 9.037
6.618
8.422
4.830
 O
O
O
O
 O3'
OP1
OP2
O
5b1m 1 P68433 93.38 6e-87 X-RAY
 2017-02-15 ALA A:115 A:111 0.0 0.0 H -59.8 -45.6 0.0 0.0 0.0 DC
DT
DG
HOH
 9.030
6.727
8.334
6.172
 O
O
O
C
 O3'
OP1
OP2
O
ALA E:115 E:111 0.0 0.0 H -63.3 -46.3 0.0 0.0 0.0 DT
DG
DA
HOH
 8.917
6.583
8.896
5.966
 O
O
O
CB
 O3'
OP1
OP2
O
5b24 1 P68431 93.38 6e-87 X-RAY
 2016-03-02 ALA A:115 A:111 0.0 0.0 H -61.5 -40.1 0.0 0.0 0.0 DC
DT
DG
 8.879
6.484
8.421
 O
O
O
 O3'
OP1
OP2
ALA E:115 E:111 0.0 0.0 H -62.0 -48.8 0.0 0.0 0.0 DT
DG
DA
 9.171
6.724
8.566
 O
O
O
 O3'
OP1
OP2
5b2i 1 P68431 93.38 6e-87 X-RAY
 2016-06-15 ALA A:115 A:111 0.0 0.0 H -62.3 -47.2 0.0 0.0 0.0 DG
DT
DG
 9.200
7.051
8.432
 O
O
O
 O3'
OP1
OP2
ALA E:115 E:111 0.0 0.0 H -69.4 -43.7 0.0 0.0 0.0 DT
DG
DA
 9.058
6.669
8.696
 O
O
O
 O3'
OP1
OP2
5b2j 1 P68431 93.38 6e-87 X-RAY
 2016-06-15 ALA A:115 A:111 0.0 0.0 H -62.1 -47.9 0.0 0.0 0.0 DG
DT
DG
HOH
 9.090
6.668
8.451
6.609
 O
CB
O
C
 O3'
OP1
OP2
O
ALA E:115 E:111 0.0 0.0 H -66.1 -49.0 0.0 0.0 0.0 DT
DG
DA
HOH
 8.968
6.542
8.507
6.512
 CB
CB
O
C
 O3'
OP1
OP2
O
5b31 1 P68431 93.38 6e-87 X-RAY
 2016-08-03 ALA A:115 A:111 0.0 0.0 H -61.9 -46.5 0.0 0.0 0.0 DC
DT
DG
HOH
 9.136
6.692
8.389
4.798
 CB
CB
O
O
 O3'
OP1
OP2
O
ALA E:115 E:111 0.0 0.0 H -58.9 -55.7 0.0 0.0 0.0 DT
DG
DA
CL
HOH
 8.939
6.569
8.589
9.970
4.821
 CB
CB
O
CB
O
 O3'
OP1
OP2
CL
O
5cpi 1 P68431 93.38 6e-87 X-RAY
 2015-10-28 ALA A:115 A:111 0.0 0.0 H -54.5 -52.8 0.0 0.0 0.0 DT
DT
DT
 9.303
6.918
9.021
 O
O
O
 O3'
OP1
OP2
ALA E:115 E:111 0.0 0.0 H -54.8 -53.4 0.0 0.0 0.0 DG
DT
DT
 9.022
6.589
8.538
 CB
CB
O
 O3'
OP1
OP2
5cpj 1 P68431 93.38 6e-87 X-RAY
 2015-10-28 ALA A:115 A:111 1.0 0.009 H -59.2 -49.5 1.0 0.009 0.0 DT
DT
DT
 8.740
6.503
8.637
 O
O
O
 O3'
OP1
OP2
ALA E:115 E:111 1.0 0.009 H -60.9 -53.7 1.0 0.009 0.0 DG
DT
DT
 8.931
6.727
8.751
 O
O
O
 O3'
OP1
OP2
5cpk 1 P68431 93.38 6e-87 X-RAY
 2015-10-28 ALA A:115 A:111 0.0 0.0 H -51.3 -53.1 0.0 0.0 0.0 DT
DC
DA
 8.868
6.803
8.921
 O
CB
O
 O3'
OP1
OP2
ALA E:115 E:111 0.0 0.0 H -53.3 -57.1 0.0 0.0 0.0 DT
DC
DC
 8.818
6.516
8.747
 CB
CB
O
 O3'
OP1
OP2
5gse 1 P68431 93.38 6e-87 X-RAY
 2017-05-03 ALA A:115 A:111 0.0 0.0 H -55.0 -50.5 0.0 0.0 0.0 DG
DA
DC
 9.198
7.128
8.801
 O
CB
O
 O3'
OP1
OP2
ALA E:115 E:111 0.0 0.0 H -56.3 -52.9 0.0 0.0 0.0 DC
DG
DC
 9.273
6.877
8.597
 O
O
O
 O3'
OP1
OP2
ALA K:115 K:111 0.0 0.0 H -56.8 -50.1 0.0 0.0 0.0 DC
DG
DC
 9.256
6.960
8.690
 O
O
O
 O3'
OP1
OP2
ALA O:115 O:111 0.0 0.0 H -54.3 -49.5 0.0 0.0 0.0 DG
DA
DC
 8.861
6.449
9.183
 O
O
O
 O3'
OP1
OP2
5gtc 1 P68431 93.38 6e-87 X-RAY
 2017-06-28 ALA A:115 A:111 0.0 0.0 H -62.6 -50.4 0.0 0.0 0.0 DC
DT
DG
 9.344
7.192
8.461
 O
O
O
 O3'
OP2
OP2
ALA E:115 E:111 0.0 0.0 H -60.8 -48.3 0.0 0.0 0.0 DT
DG
DA
 8.898
6.530
8.620
 O
O
O
 O3'
OP1
OP2
5jrg 1 P68431 93.38 6e-87 X-RAY
 2017-03-08 ALA A:115 A:111 0.0 0.0 H -64.3 -49.5 0.0 0.0 0.0 DC
DT
DG
HOH
 9.096
6.735
8.378
6.399
 O
O
O
O
 O3'
OP1
OP2
O
ALA E:115 E:111 0.0 0.0 H -63.9 -50.7 0.0 0.0 0.0 DC
DT
DG
HOH
 9.010
6.647
8.527
6.055
 CB
CB
O
CB
 O3'
OP1
OP2
O
5y0c 2 P68431 93.38 6e-87 X-RAY
 2018-07-18 ALA C:115 A:111 0.0 0.0 H -61.5 -48.8 0.0 0.0 0.0 DC
DT
DG
HOH
 9.062
6.778
8.079
5.045
 O
O
O
O
 O3'
OP1
OP2
O
ALA G:115 E:111 0.0 0.0 H -61.1 -48.7 0.0 0.0 0.0 DT
DG
DA
HOH
 8.790
6.412
8.624
5.239
 O
O
O
O
 O3'
OP1
OP2
O
5y0d 1 P68431 93.38 6e-87 X-RAY
 2018-07-18 ALA A:115 A:111 0.0 0.0 H -63.1 -45.7 0.0 0.0 0.0 DC
DT
DG
CL
HOH
 8.992
6.617
8.019
9.989
5.258
 O
O
O
CB
O
 O3'
OP1
OP2
CL
O
ALA E:115 E:111 0.0 0.0 H -62.8 -45.3 0.0 0.0 0.0 DT
DG
DA
CL
HOH
 8.922
6.545
8.555
9.942
5.047
 O
O
O
CB
O
 O3'
OP1
OP2
CL
O
5z30 1 P68431 93.38 6e-87 X-RAY
 2018-07-18 ALA A:115 A:111 0.0 0.0 H -64.6 -44.7 0.0 0.0 0.0 DC
DT
DG
HOH
 9.322
7.120
8.389
9.260
 O
CB
O
O
 O3'
OP1
OP2
O
ALA E:115 E:111 0.0 0.0 H -64.4 -45.2 0.0 0.0 0.0 DT
DG
DA
CL
HOH
 8.832
6.417
8.707
9.830
5.927
 O
O
O
CB
CB
 O3'
OP1
OP2
CL
O
6hkt 1 P68431 93.38 6e-87 X-RAY
 2018-10-31 ALA A:115 A:111 0.0 0.0 H -65.6 -43.9 0.0 0.0 0.0 DC
DG
DC
 9.219
6.834
9.351
 CB
CB
O
 O3'
OP1
OP2
ALA E:115 E:111 0.0 0.0 H -65.3 -44.0 0.0 0.0 0.0 DG
DA
DC
 9.143
6.740
8.531
 CB
O
O
 O3'
OP1
OP2
ALA K:115 a:111 0.0 0.0 H -66.2 -46.0 0.0 0.0 0.0 DC
DG
DC
 9.562
7.137
9.223
 CB
CB
O
 O3'
OP1
OP2
ALA O:115 e:111 0.0 0.0 H -64.3 -44.0 0.0 0.0 0.0 DG
DA
DC
 8.770
6.358
8.532
 O
O
O
 O3'
OP1
OP2
ALA S:115 K:111 0.0 0.0 H -65.9 -44.6 0.0 0.0 0.0 DC
DG
DC
 9.764
7.324
9.194
 O
CB
O
 O3'
OP1
OP2
ALA W:115 O:111 0.0 0.0 H -65.6 -45.0 0.0 0.0 0.0 DG
DA
DC
 9.490
7.110
9.146
 CB
CB
O
 O3'
OP1
OP2
ALA AA:115 k:111 0.0 0.0 H -62.8 -44.6 0.0 0.0 0.0 DC
DG
DC
 9.581
7.092
8.976
 O
O
O
 O3'
OP1
OP2
ALA EA:115 o:111 0.0 0.0 H -64.2 -44.1 0.0 0.0 0.0 DG
DA
DC
 8.428
6.029
7.947
 O
O
O
 O3'
OP1
OP2
ALA IA:115 U:111 0.0 0.0 H -64.5 -43.7 0.0 0.0 0.0 DC
DG
DC
 9.515
7.051
9.361
 O
O
O
 O3'
OP1
OP2
ALA MA:115 Y:111 0.0 0.0 H -66.6 -43.5 0.0 0.0 0.0 DG
DA
DC
 9.791
7.321
8.774
 O
O
O
 O3'
OP1
OP2
ALA QA:115 u:111 0.0 0.0 H -64.8 -43.8 0.0 0.0 0.0 DC
DG
DC
 8.579
6.114
8.749
 O
O
O
 O3'
OP1
OP2
ALA UA:115 y:111 0.0 0.0 H -65.2 -43.8 0.0 0.0 0.0 DG
DA
DC
 9.116
6.776
8.963
 CB
CB
O
 O3'
OP1
OP2
6jou 1 P68431 93.38 6e-87 X-RAY
 2020-03-25 ALA A:115 A:111 0.0 0.0 H -64.5 -43.7 0.0 0.0 0.0 DC
DT
DG
HOH
 9.030
6.700
8.400
5.880
 O
CB
O
CB
 O3'
OP1
OP2
O
ALA E:115 E:111 0.0 0.0 H -64.7 -41.2 0.0 0.0 0.0 DT
DG
DA
HOH
 8.749
6.405
8.763
5.137
 O
O
O
O
 O3'
OP1
OP2
O
6jr0 1 P68431 93.38 6e-87 X-RAY
 2019-10-02 ALA A:115 A:111 0.0 0.0 H -67.8 -41.2 0.0 0.0 0.0 DC
DT
DG
CL
HOH
 9.149
6.899
8.239
9.980
6.064
 O
O
O
CB
CB
 O3'
OP1
OP2
CL
O
ALA E:115 E:111 0.0 0.0 H -68.3 -41.1 0.0 0.0 0.0 DT
DG
DA
CL
HOH
 8.839
6.482
8.518
9.948
6.175
 O
O
O
CB
CB
 O3'
OP1
OP2
CL
O
6jr1 1 P68431 93.38 6e-87 X-RAY
 2019-10-02 ALA A:115 A:111 0.0 0.0 H -66.8 -43.1 0.0 0.0 0.0 DC
DT
DG
CL
HOH
 9.163
6.909
8.165
9.910
5.930
 O
O
O
CB
O
 O3'
OP1
OP2
CL
O
ALA E:115 E:111 0.0 0.0 H -66.9 -43.3 0.0 0.0 0.0 DT
DG
DA
CL
HOH
 8.893
6.514
8.679
9.849
5.867
 O
O
O
CB
O
 O3'
OP1
OP2
CL
O
6k1i 1 P68431 93.38 6e-87 X-RAY
 2020-01-15 ALA A:115 A:111 0.0 0.0 H -61.0 -53.6 0.0 0.0 0.0 DC
DG
DC
HOH
 9.272
7.074
9.812
6.024
 O
CB
O
CB
 O3'
OP1
OP2
O
ALA E:115 E:111 0.0 0.0 H -51.2 -55.7 0.0 0.0 0.0 DG
DA
DC
HOH
 9.042
6.743
8.239
5.707
 O
O
O
CB
 O3'
OP1
OP2
O
6k1j 1 P68431 93.38 6e-87 X-RAY
 2020-01-15 ALA A:115 A:111 0.0 0.0 H -59.4 -55.0 0.0 0.0 0.0 DC
DT
DG
HOH
 9.132
6.748
8.498
5.683
 CB
CB
O
CB
 O3'
OP1
OP2
O
ALA E:115 E:111 0.0 0.0 H -49.7 -59.1 0.0 0.0 0.0 DC
DT
DG
HOH
 9.078
6.666
8.419
5.637
 CB
CB
O
O
 O3'
OP1
OP2
O
6k1k 1 P68431 93.38 6e-87 X-RAY
 2020-01-15 ALA A:115 A:111 0.0 0.0 H -55.7 -55.2 0.0 0.0 0.0 DC
DG
DG
HOH
 8.969
6.582
8.342
5.952
 CB
CB
O
CB
 O3'
OP1
OP2
O
ALA E:115 E:111 0.0 0.0 H -57.6 -50.1 0.0 0.0 0.0 DC
DG
DG
HOH
 8.870
6.538
8.457
5.862
 O
O
O
CB
 O3'
OP1
OP2
O
6kvd 2 P68431 93.38 6e-87 X-RAY
 2019-12-18 ALA C:115 A:111 0.0 0.0 H -63.0 -45.2 0.0 0.0 0.0 DC
DT
DG
CL
HOH
 9.261
6.966
8.246
9.995
5.189
 O
CB
O
CB
O
 O3'
OP1
OP2
CL
O
ALA G:115 E:111 0.0 0.0 H -64.5 -43.6 0.0 0.0 0.0 DT
DG
DA
CL
HOH
 8.872
6.512
8.718
9.887
6.145
 O
O
O
CB
O
 O3'
OP1
OP2
CL
O
6l49 7 P68431 93.38 6e-87 EM
 2019-12-04 ALA K:115 K:111 0.0 0.0 H -71.5 -42.0 0.0 0.0 0.0 DC
DG
DC
 8.471
6.324
7.752
 O
O
O
 O3'
OP1
OP2
ALA O:115 O:111 0.0 0.0 H -71.2 -44.0 0.0 0.0 0.0 DG
DA
DC
 8.572
6.293
7.341
 O
O
O
 O3'
OP1
OP2
ALA S:115 S:111 0.0 0.0 H -69.4 -38.6 0.0 0.0 0.0 DC
DG
DC
 9.016
6.688
7.549
 O
O
O
 O3'
OP2
OP2
ALA W:115 W:111 0.0 0.0 H -71.9 -38.9 0.0 0.0 0.0 DG
DA
DC
 8.348
5.975
8.067
 O
O
O
 O3'
OP1
OP2
6l4a 1 P68431 93.38 6e-87 EM
 2019-12-04 ALA A:115 A:111 0.0 0.0 H -70.9 -31.7 0.0 0.0 0.0 DC
DG
DC
 8.878
6.490
8.011
 O
O
O
 O3'
OP1
OP2
ALA E:115 E:111 0.0 0.0 H -70.6 -36.1 0.0 0.0 0.0 DG
DA
DC
 8.464
6.087
8.192
 O
O
O
 O3'
OP1
OP2
ALA K:115 K:111 0.0 0.0 H -70.1 -35.4 0.0 0.0 0.0 DC
DG
DC
 8.749
6.403
8.065
 O
O
O
 O3'
OP1
OP2
ALA O:115 O:111 0.0 0.0 H -72.2 -32.5 0.0 0.0 0.0 DG
DA
DC
 8.713
6.343
8.321
 O
O
O
 O3'
OP1
OP2
ALA S:115 S:111 0.0 0.0 H -68.8 -34.8 0.0 0.0 0.0 DC
DG
DC
 8.797
6.427
8.477
 O
O
O
 O3'
OP1
OP2
ALA W:115 W:111 0.0 0.0 H -72.2 -33.6 0.0 0.0 0.0 DG
DA
DC
 8.737
6.363
8.387
 O
O
O
 O3'
OP1
OP2
6r8y 1 P68431 93.38 6e-87 EM
 2019-06-12 ALA A:115 A:112 0.0 0.0 H -66.5 -46.2 0.0 0.0 0.0 DC
DT
DG
 8.460
6.000
8.750
 HB1
HB1
O
 O3'
OP1
OP2
ALA E:115 E:112 0.0 0.0 H -66.3 -46.6 0.0 0.0 0.0 DC
DT
DG
 8.517
6.120
8.469
 HB1
HB1
HB1
 O3'
OP1
OP2
6r8z 1 P68431 93.38 6e-87 EM
 2019-06-12 ALA A:115 A:112 0.0 0.0 H -69.0 -49.1 0.0 0.0 0.0 DC
DT
DG
 8.848
6.324
8.289
 HB1
HB1
O
 O3'
OP1
OP2
ALA E:115 E:112 0.0 0.0 H -66.3 -44.7 0.0 0.0 0.0 DC
DT
DG
 8.662
6.235
8.414
 HB1
HB1
HA
 O3'
OP1
OP2
6r90 1 P68431 93.38 6e-87 EM
 2019-06-12 ALA A:115 A:112 0.0 0.0 H -67.3 -44.9 0.0 0.0 0.0 DC
DT
DG
 8.578
6.126
9.745
 HB1
HB1
HB1
 O3'
OP1
OP2
ALA E:115 E:112 0.0 0.0 H -66.1 -43.2 0.0 0.0 0.0 DC
DT
DG
 8.846
6.414
8.694
 HB1
HB1
HB1
 O3'
OP1
OP2
6r91 1 P68431 93.38 6e-87 EM
 2019-06-12 ALA A:115 A:112 0.0 0.0 H -64.0 -47.6 0.0 0.0 0.0 DC
DA
DG
 8.267
5.976
8.320
 HB1
HB1
O
 H3'
OP1
OP2
ALA E:115 E:112 0.0 0.0 H -63.9 -47.3 0.0 0.0 0.0 DA
DA
DC
 7.506
5.114
8.253
 HB1
HB1
HA
 O3'
OP1
OP2
6r92 4 P68431 93.38 6e-87 EM
 2019-06-12 ALA D:115 A:112 0.0 0.0 H -63.7 -47.9 0.0 0.0 0.0 DT
DG
DG
DT
 8.918
6.876
8.625
9.794
 HB1
HB1
O
HB1
 O3'
OP1
OP2
H5''
ALA H:115 E:112 0.0 0.0 H -63.6 -47.9 0.0 0.0 0.0 DG
DC
DT
 7.902
5.493
8.375
 HB1
HB1
O
 O3'
OP1
OP2
6r93 3 P68431 93.38 6e-87 EM
 2019-06-12 ALA C:115 A:112 0.0 0.0 H -63.4 -47.7 0.0 0.0 0.0 DC
DT
DG
 8.806
6.422
8.832
 HB1
HB1
O
 O3'
OP1
OP2
ALA G:115 E:112 0.0 0.0 H -64.5 -48.2 0.0 0.0 0.0 DC
DT
DG
 8.587
6.214
8.055
 HB1
HB1
O
 O3'
OP1
OP2
6r94 3 P68431 93.38 6e-87 EM
 2019-06-12 ALA C:115 A:112 0.0 0.0 H -63.7 -47.8 0.0 0.0 0.0 DC
DT
DG
 8.502
6.279
8.100
 HB1
HB1
O
 O3'
OP1
OP2
ALA G:115 E:112 0.0 0.0 H -63.5 -48.0 0.0 0.0 0.0 DC
DT
DG
 8.391
6.000
8.340
 HB1
HB1
O
 O3'
OP1
OP2
6t90 1 P68431 93.38 6e-87 EM
 2020-05-06 ALA A:115 A:112 0.0 0.0 H -63.3 -37.1 0.0 0.0 0.0 DC
DG
DC
PTD
 9.311
7.045
8.952
9.319
 O
O
O
O
 O3'
OP1
OP2
C1
6t93 1 P68431 93.38 6e-87 EM
 2020-05-06 ALA A:115 A:112 0.0 0.0 H -65.1 -39.9 0.0 0.0 0.0 DC
DG
DC
 9.416
6.969
8.475
 CB
CB
O
 O3'
OP1
OP2
ALA E:115 E:112 0.0 0.0 H -64.3 -40.4 0.0 0.0 0.0 DG
DA
DC
 9.165
6.814
8.664
 O
O
O
 O3'
OP1
OP2
6usj 3 P68431 93.38 6e-87 EM
 2020-10-14 ALA C:115 A:111 0.0 0.0 H -64.3 -47.4 0.0 0.0 0.0 DG
DA
DC
 8.967
6.559
8.613
 O
CB
O
 O3'
OP1
OP2
ALA G:115 E:111 0.0 0.0 H -64.8 -46.7 0.0 0.0 0.0 DC
DG
DC
 8.911
6.538
8.608
 CB
CB
O
 O3'
OP1
OP2
ALA M:115 K:111 0.0 0.0 H -64.4 -47.3 0.0 0.0 0.0 DG
DA
DC
 8.969
6.563
8.615
 O
CB
O
 O3'
OP1
OP2
ALA Q:115 O:111 0.0 0.0 H -64.9 -46.8 0.0 0.0 0.0 DC
DG
DC
 8.906
6.533
8.605
 CB
CB
O
 O3'
OP1
OP2
6v2k 1 P68431 93.38 6e-87 X-RAY
 2020-11-25 ALA A:115 A:111 0.0 0.0 H -62.9 -49.6 0.0 0.0 0.0 DC
DT
DG
 9.320
6.909
8.220
 O
CB
O
 O3'
OP1
OP2
ALA E:115 E:111 0.0 0.0 H -64.2 -49.1 0.0 0.0 0.0 DT
DG
DA
 9.012
6.676
8.782
 CB
CB
O
 O3'
OP1
OP2
6yov 1 P68431 93.38 6e-87 EM
 2020-05-06 ALA A:115 A:112 0.0 0.0 H -64.0 -37.5 0.0 0.0 0.0 DC
DG
DC
PTD
 9.284
6.916
8.810
9.397
 O
CB
O
O
 O3'
OP1
OP2
C3
7c0m 1 P68431 93.38 6e-87 EM
 2020-09-16 ALA A:115 A:111 0.0 0.0 H -65.4 -44.6 0.0 0.0 0.0 DC
DG
DC
 9.477
7.335
8.489
 O
O
O
 O3'
OP2
OP2
ALA E:115 E:111 0.0 0.0 H -62.6 -50.5 0.0 0.0 0.0 DG
DA
DC
 9.165
6.780
8.461
 O
O
O
 O3'
OP1
OP2
ALA L:115 a:111 0.0 0.0 H -65.3 -44.6 0.0 0.0 0.0 DC
DG
DC
 9.477
7.335
8.488
 O
O
O
 O3'
OP2
OP2
ALA P:115 e:111 0.0 0.0 H -62.6 -50.5 0.0 0.0 0.0 DG
DA
DC
 9.165
6.778
8.462
 O
O
O
 O3'
OP1
OP2
7d1z 1 P68431 93.38 6e-87 EM
 2021-02-10 ALA A:115 A:111 0.0 0.0 H -59.0 -52.1 0.0 0.0 0.0 DC
DG
DC
 9.509
7.250
8.720
 O
CB
O
 O3'
OP1
OP2
ALA E:115 E:111 0.0 0.0 H -60.5 -53.1 0.0 0.0 0.0 DG
DA
DC
 9.491
7.084
8.586
 O
CB
O
 O3'
OP1
OP2
7scy 3 P68431 93.38 6e-87 EM
 2022-01-12 ALA C:115 A:111 0.0 0.0 H -58.2 -45.7 0.0 0.0 0.0 DC
DC
DG
DC
 9.607
7.757
5.369
8.345
 HB2
HB2
HB2
HA
 H5''
O3'
OP1
OP2
ALA G:115 E:111 1.0 0.009 H -64.9 -44.0 1.0 0.009 0.0 DG
DA
DC
DC
 7.570
5.369
8.168
9.512
 HB2
HB2
HA
HB2
 O3'
OP1
OP2
H5''
7scz 3 P68431 93.38 6e-87 EM
 2022-01-19 ALA C:115 A:111 0.0 0.0 H -66.9 -45.5 0.0 0.0 0.0 DC
DC
DG
DC
 9.785
7.957
5.501
8.173
 HB2
HB2
HB2
HA
 H5''
O3'
OP1
OP2
ALA G:115 E:111 0.0 0.0 H -64.5 -49.1 0.0 0.0 0.0 DG
DA
DC
 7.936
5.576
8.305
 HB2
HB2
HA
 O3'
OP1
OP2
3azf 1 P68431 93.38 6e-87 X-RAY
 2011-09-21 ALA A:115 A:111 0.0 0.0 H -67.0 -46.2 0.0 0.0 0.0 DC
DT
DG
CL
HOH
 9.241
6.834
8.213
9.953
4.892
 O
CB
O
CB
O
 O3'
OP1
OP2
CL
O
ALA E:115 E:111 0.0 0.0 H -64.4 -54.2 0.0 0.0 0.0 DT
DG
DA
HOH
 9.396
6.945
8.858
5.026
 CB
CB
O
O
 O3'
OP1
OP2
O
7lya 1 P68431 93.38 1e-86 EM
 2021-07-28 ALA A:116 A:111 0.0 0.0 H -62.9 -35.8 0.0 0.0 0.0 DC
DG
DC
 9.289
7.036
8.933
 O
O
O
 O3'
OP1
OP2
ALA D:116 E:111 0.0 0.0 H -63.0 -35.7 0.0 0.0 0.0 DG
DA
DC
 9.209
6.914
8.893
 O
O
O
 O3'
OP1
OP2
7lyb 1 P68431 93.38 1e-86 EM
 2021-07-28 ALA A:116 A:111 0.0 0.0 H -63.2 -47.1 0.0 0.0 0.0 DC
DG
DC
 9.642
7.277
8.579
 O
O
O
 O3'
OP2
OP2
ALA D:116 E:111 0.0 0.0 H -63.1 -47.2 0.0 0.0 0.0 DG
DA
DC
 9.240
6.877
8.982
 O
O
O
 O3'
OP1
OP2
7lyc 1 P68431 93.38 1e-86 EM
 2021-06-16 ALA A:116 A:111 0.0 0.0 H -69.5 -41.2 0.0 0.0 0.0 DC
DG
DC
 9.285
7.139
8.962
 O
O
O
 O3'
OP1
OP2
ALA D:116 E:111 0.0 0.0 H -69.5 -41.3 0.0 0.0 0.0 DG
DA
DC
 9.107
6.830
8.628
 O
O
O
 O3'
OP1
OP2
6zhx 1 A0A310TTQ1 92.65 2e-86 EM
 2020-12-23 ALA A:112 A:111 0.0 0.0 H -59.0 -41.1 0.0 0.0 0.0 DC
DG
DC
 8.018
5.619
8.431
 HB1
HB1
HA
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -63.7 -44.0 0.0 0.0 0.0 DG
DA
DC
 8.345
5.832
8.433
 HB1
HB1
HA
 O3'
OP1
OP2
6zhy 1 A0A310TTQ1 92.65 2e-86 EM
 2020-12-23 ALA A:112 A:111 0.0 0.0 H -67.7 -40.5 0.0 0.0 0.0 DC
DG
DC
 8.593
6.163
8.874
 HB1
HB1
HA
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -63.2 -44.6 0.0 0.0 0.0 DG
DA
DC
 8.487
5.988
8.287
 HB1
HB1
HA
 O3'
OP1
OP2
7otq 2 P84233 92.65 2e-86 EM
 2021-09-15 ALA B:112 A:111 0.0 0.0 H -62.0 -43.8 0.0 0.0 0.0 DC
DG
DC
 8.005
5.614
8.151
 HB3
HB3
HB3
 O3'
OP1
OP2
ALA F:112 E:111 0.0 0.0 H -60.7 -43.4 0.0 0.0 0.0 DG
DA
DC
 7.941
5.582
8.241
 HB3
HB3
HB3
 O3'
OP1
OP2
7mbm 5 A0A310TTQ1 92.65 2e-86 EM
 2021-12-29 ALA E:112 G:111 0.0 0.0 H -71.5 -35.0 0.0 0.0 0.0 DG
 8.399
 O
 OP1
ALA I:112 K:111 0.0 0.0 H -71.6 -35.0 0.0 0.0 0.0 DA
DC
 7.952
9.710
 O
O
 OP1
OP2
7mbn 5 A0A310TTQ1 92.65 2e-86 EM
 2021-12-29 ALA E:112 G:111 5.0 0.043 H -62.7 -32.4 5.0 0.043 0.0 DG
DA
DC
 8.663
6.434
8.805
 O
O
O
 O3'
OP2
OP2
ALA I:112 K:111 6.0 0.052 H -62.7 -32.2 6.0 0.052 0.0 DC
DG
DC
 8.375
6.229
8.756
 O
O
O
 O3'
OP1
OP2
1kx3 2 P84233 93.33 2e-86 X-RAY
 2002-12-25 ALA C:111 A:111 0.0 0.0 H -65.2 -44.6 0.0 0.0 0.0 DC
DT
DG
HOH
 8.916
6.518
8.157
5.225
 O
O
O
O
 O3'
OP1
OP2
O
ALA G:111 E:111 0.0 0.0 H -66.1 -47.6 0.0 0.0 0.0 DT
DG
DA
HOH
 9.000
6.596
8.638
5.108
 CB
CB
O
O
 O3'
OP1
OP2
O
1kx4 2 P16105 93.33 2e-86 X-RAY
 2002-12-25 ALA C:111 A:111 0.0 0.0 H -67.5 -52.0 0.0 0.0 0.0 DC
DT
DG
HOH
 9.115
6.721
8.298
5.303
 CB
CB
O
O
 O3'
OP1
OP2
O
ALA G:111 E:111 0.0 0.0 H -56.9 -54.5 0.0 0.0 0.0 DT
DG
DA
HOH
 9.177
6.745
8.370
6.022
 O
CB
O
CB
 O3'
OP1
OP2
O
1kx5 3 P16105 93.33 2e-86 X-RAY
 2002-12-25 ALA C:111 A:111 0.0 0.0 H -64.5 -46.5 0.0 0.0 0.0 DT
DG
DG
HOH
 8.920
6.570
8.156
5.033
 O
O
O
O
 O3'
OP1
OP2
O
ALA G:111 E:111 0.0 0.0 H -63.8 -46.3 0.0 0.0 0.0 DT
DG
DG
HOH
 8.910
6.648
8.606
5.059
 O
CB
O
O
 O3'
OP1
OP2
O
1s32 2 30268544 93.33 2e-86 X-RAY
 2004-05-11 ALA C:111 A:511 0.0 0.0 H -61.2 -46.6 0.0 0.0 0.0 DC
DG
DG
HOH
 8.977
6.577
8.020
4.967
 O
CB
O
O
 O3'
OP1
OP2
O
ALA G:111 E:711 0.0 0.0 H -65.2 -49.7 0.0 0.0 0.0 DG
DG
DA
CL
HOH
 9.054
6.636
8.535
9.999
5.000
 O
CB
O
CB
O
 O3'
OP1
OP2
CL
O
1zbb 3 P84233 93.33 2e-86 X-RAY
 2005-07-12 ALA C:111 A:111 0.0 0.0 H -64.6 -46.3 0.0 0.0 0.0 DT
DG
DG
 8.908
6.558
8.144
 O
O
O
 O3'
OP1
OP2
ALA G:111 E:111 0.0 0.0 H -63.8 -46.1 0.0 0.0 0.0 DT
DG
DG
 8.901
6.640
8.594
 O
O
O
 O3'
OP1
OP2
ALA K:111 a:111 0.0 0.0 H -64.5 -46.3 0.0 0.0 0.0 DT
DG
DG
 8.906
6.559
8.145
 O
O
O
 O3'
OP1
OP2
ALA O:111 e:111 0.0 0.0 H -63.8 -46.2 0.0 0.0 0.0 DT
DG
DG
 8.903
6.643
8.592
 O
O
O
 O3'
OP1
OP2
2fj7 3 30268544 93.33 2e-86 X-RAY
 2006-09-26 ALA C:111 A:111 0.0 0.0 H -72.3 -57.5 0.0 0.0 0.0 DT
DG
DA
 9.642
7.625
8.407
 O
O
O
 O3'
OP1
OP2
ALA G:111 E:111 1.0 0.009 H -59.1 -46.2 1.0 0.009 0.0 DG
DC
DT
 8.468
6.275
8.695
 CB
CB
O
 O3'
OP1
OP2
2nzd 3 288992 93.33 2e-86 X-RAY
 2007-04-10 ALA C:111 A:111 0.0 0.0 H -57.9 -47.1 0.0 0.0 0.0 DC
DT
DG
HOH
 9.037
6.696
8.354
7.544
 O
O
O
C
 O3'
OP1
OP2
O
ALA G:111 E:111 0.0 0.0 H -59.7 -47.3 0.0 0.0 0.0 DC
DT
DG
HOH
 9.136
6.729
8.456
9.101
 O
CB
O
N
 O3'
OP1
OP2
O
3b6f 3 P84233 93.33 2e-86 X-RAY
 2007-12-25 ALA C:111 A:111 0.0 0.0 H -49.5 -55.2 0.0 0.0 0.0 DT
DG
DG
 8.881
6.437
8.905
 CB
CB
O
 O3'
OP1
OP2
ALA G:111 E:111 0.0 0.0 H -70.8 -53.3 0.0 0.0 0.0 DT
DG
DG
 8.710
6.260
9.070
 CB
CB
O
 O3'
OP1
OP2
3b6g 3 P84233 93.33 2e-86 X-RAY
 2007-12-25 ALA C:111 A:111 0.0 0.0 H -56.9 -58.2 0.0 0.0 0.0 DT
DG
DG
 9.405
6.935
8.299
 CB
CB
O
 O3'
OP1
OP2
ALA G:111 E:111 0.0 0.0 H -54.7 -61.8 0.0 0.0 0.0 DT
DG
DG
 8.576
6.193
9.047
 CB
CB
CB
 O3'
OP1
OP2
3c1b 1 P02302 93.33 2e-86 X-RAY
 2008-10-07 ALA A:111 A:511 0.0 0.0 H -61.6 -44.2 0.0 0.0 0.0 DC
DG
DG
HOH
 8.854
6.414
8.241
4.926
 O
O
O
O
 O3'
OP1
OP2
O
ALA E:111 E:711 0.0 0.0 H -68.3 -45.9 0.0 0.0 0.0 DG
DG
DA
HOH
 9.010
6.617
8.497
5.119
 O
CB
O
O
 O3'
OP1
OP2
O
3kuy 1 P84233 93.33 2e-86 X-RAY
 2010-01-05 ALA A:111 A:111 0.0 0.0 H -64.1 -53.7 0.0 0.0 0.0 DC
DT
DG
 8.956
6.602
8.376
 CB
CB
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -59.6 -53.5 0.0 0.0 0.0 DC
DT
DG
 9.064
6.615
8.370
 CB
CB
O
 O3'
OP1
OP2
3lja 1 P84233 93.33 2e-86 X-RAY
 2010-04-14 ALA A:111 A:111 0.0 0.0 H -63.2 -46.2 0.0 0.0 0.0 DT
DG
DG
MN
 9.003
6.666
8.517
9.456
 O
CB
O
O
 O3'
OP1
OP2
MN
ALA E:111 E:111 0.0 0.0 H -52.4 -55.2 0.0 0.0 0.0 DT
DG
DG
 9.264
6.790
8.935
 CB
CB
O
 O3'
OP1
OP2
3lz0 1 P84233 93.33 2e-86 X-RAY
 2010-09-15 ALA A:111 A:111 0.0 0.0 H -53.7 -52.3 0.0 0.0 0.0 DC
DG
DC
 8.745
6.337
8.920
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -48.5 -57.9 0.0 0.0 0.0 DG
DA
DC
 8.914
6.513
8.364
 O
O
O
 O3'
OP1
OP2
3lz1 1 P84233 93.33 2e-86 X-RAY
 2010-09-15 ALA A:111 A:111 0.0 0.0 H -56.1 -52.6 0.0 0.0 0.0 DG
DA
DC
 8.746
6.429
9.043
 CB
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -50.5 -59.6 0.0 0.0 0.0 DC
DG
DC
 8.972
6.578
8.464
 O
O
O
 O3'
OP1
OP2
3mgp 1 P84233 93.33 2e-86 X-RAY
 2010-06-16 ALA A:111 A:111 0.0 0.0 H -53.6 -57.7 0.0 0.0 0.0 DC
DT
DG
 9.227
6.815
8.413
 CB
CB
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -54.8 -60.0 0.0 0.0 0.0 DG
DG
DA
 8.917
6.574
8.728
 CB
CB
O
 O3'
OP1
OP2
3mgq 1 P84233 93.33 2e-86 X-RAY
 2010-06-16 ALA A:111 A:111 0.0 0.0 H -59.7 -50.7 0.0 0.0 0.0 DC
DT
DG
 9.041
6.629
8.372
 CB
CB
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -59.2 -51.6 0.0 0.0 0.0 DG
DG
DA
 8.976
6.606
8.871
 CB
CB
O
 O3'
OP1
OP2
3mgr 1 P84233 93.33 2e-86 X-RAY
 2010-06-16 ALA A:111 A:111 0.0 0.0 H -58.9 -52.6 0.0 0.0 0.0 DT
DG
DG
 8.936
6.589
8.389
 O
CB
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -61.9 -50.3 0.0 0.0 0.0 DT
DG
DG
 8.977
6.542
8.674
 CB
CB
O
 O3'
OP1
OP2
3mgs 1 P84233 93.33 2e-86 X-RAY
 2010-06-16 ALA A:111 A:111 0.0 0.0 H -71.5 -44.6 0.0 0.0 0.0 DT
DG
DG
CL
 9.067
6.658
8.459
9.670
 CB
CB
O
CB
 O3'
OP1
OP2
CL
ALA E:111 E:111 0.0 0.0 H -65.2 -47.3 0.0 0.0 0.0 DT
DG
DG
CL
 9.033
6.590
8.790
9.950
 CB
CB
O
CB
 O3'
OP1
OP2
CL
3mnn 1 P84233 93.33 2e-86 X-RAY
 2011-04-06 ALA A:111 A:111 0.0 0.0 H -54.3 -53.3 0.0 0.0 0.0 DC
DT
DG
 8.897
6.521
8.447
 CB
CB
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -52.5 -55.5 0.0 0.0 0.0 DC
DT
DG
 9.006
6.620
8.428
 CB
CB
O
 O3'
OP1
OP2
3mvd 1 P84233 93.33 2e-86 X-RAY
 2010-08-25 ALA A:111 A:111 0.0 0.0 H -57.4 -50.3 0.0 0.0 0.0 DG
DA
DC
 8.949
6.569
8.427
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -60.0 -55.0 0.0 0.0 0.0 DC
DG
DC
 9.079
6.665
8.572
 O
CB
O
 O3'
OP1
OP2
3o62 1 P84233 93.33 2e-86 X-RAY
 2011-01-05 ALA A:111 A:111 2.0 0.017 H -59.8 -58.6 2.0 0.017 0.0 DC
DG
 9.099
6.722
 CB
CB
 O3'
OP1
ALA E:111 E:111 0.0 0.0 H -74.7 -58.2 0.0 0.0 0.0 DG
DG
DA
 8.505
6.360
8.435
 CB
CB
O
 O3'
OP1
OP2
3reh 1 P84233 93.33 2e-86 X-RAY
 2012-03-14 ALA A:111 A:111 0.0 0.0 H -65.4 -44.8 0.0 0.0 0.0 DC
DT
DG
HOH
 9.051
6.665
8.335
6.322
 O
O
O
C
 O3'
OP1
OP2
O
ALA E:111 E:111 0.0 0.0 H -61.4 -45.3 0.0 0.0 0.0 DC
DT
DG
HOH
 8.982
6.608
8.383
6.251
 O
CB
O
CB
 O3'
OP1
OP2
O
3rei 1 P84233 93.33 2e-86 X-RAY
 2012-03-14 ALA A:111 A:111 0.0 0.0 H -58.4 -49.3 0.0 0.0 0.0 DC
DT
DG
PT
 9.093
6.753
8.355
9.615
 O
O
O
CB
 O3'
OP1
OP2
PT
ALA E:111 E:111 0.0 0.0 H -61.9 -47.8 0.0 0.0 0.0 DC
DT
DG
PT
 9.115
6.682
8.467
9.002
 O
CB
O
CB
 O3'
OP1
OP2
PT
3rej 1 P84233 93.33 2e-86 X-RAY
 2012-03-14 ALA A:111 A:111 0.0 0.0 H -63.0 -45.7 0.0 0.0 0.0 DC
DT
DG
HOH
 8.987
6.631
8.475
5.452
 O
O
O
O
 O3'
OP1
OP2
O
ALA E:111 E:111 0.0 0.0 H -47.7 -54.9 0.0 0.0 0.0 DT
DG
DA
HOH
 9.112
6.758
8.832
5.910
 O
CB
O
CB
 O3'
OP1
OP2
O
3rek 1 P84233 93.33 2e-86 X-RAY
 2012-03-14 ALA A:111 A:111 0.0 0.0 H -62.7 -51.9 0.0 0.0 0.0 DC
DT
DG
PT
PT
 9.089
6.674
8.470
9.542
9.921
 CB
CB
O
CB
O
 O3'
OP1
OP2
PT
PT
ALA E:111 E:111 0.0 0.0 H -47.1 -56.1 0.0 0.0 0.0 DT
DG
DA
PT
 9.090
6.703
8.877
9.070
 O
CB
O
CB
 O3'
OP1
OP2
PT
3rel 1 P84233 93.33 2e-86 X-RAY
 2012-03-14 ALA A:111 A:111 0.0 0.0 H -62.3 -50.7 0.0 0.0 0.0 DC
DT
DG
 9.130
6.704
8.477
 CB
CB
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -49.0 -56.4 0.0 0.0 0.0 DT
DG
DA
 9.302
6.861
8.597
 CB
CB
O
 O3'
OP1
OP2
3tu4 1 P84233 93.33 2e-86 X-RAY
 2011-11-23 ALA A:111 A:111 0.0 0.0 H -63.4 -53.6 0.0 0.0 0.0 DG
DA
DG
 8.976
6.560
8.310
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -64.8 -50.4 0.0 0.0 0.0 DC
DG
DG
 9.077
6.659
8.168
 O
CB
O
 O3'
OP1
OP2
3ut9 1 P84233 93.33 2e-86 X-RAY
 2012-04-11 ALA A:111 A:111 0.0 0.0 H -59.3 -53.7 0.0 0.0 0.0 DC
DG
DG
HOH
 9.102
6.701
8.514
8.961
 O
CB
O
N
 O3'
OP1
OP2
O
ALA E:111 E:111 0.0 0.0 H -57.3 -52.1 0.0 0.0 0.0 DC
DG
DG
HOH
 8.961
6.583
8.456
5.540
 CB
CB
O
CB
 O3'
OP1
OP2
O
3uta 1 P84233 93.33 2e-86 X-RAY
 2012-04-11 ALA A:111 A:111 0.0 0.0 H -58.0 -44.0 0.0 0.0 0.0 DC
DT
DG
CL
MN
HOH
 8.880
6.569
8.258
9.993
9.941
6.076
 O
O
O
CB
O
CB
 O3'
OP1
OP2
CL
MN
O
ALA E:111 E:111 0.0 0.0 H -55.5 -53.9 0.0 0.0 0.0 DC
DT
DG
HOH
 8.990
6.648
8.349
5.855
 CB
CB
O
CB
 O3'
OP1
OP2
O
3utb 1 P84233 93.33 2e-86 X-RAY
 2012-04-11 ALA A:111 A:111 0.0 0.0 H -64.4 -49.7 0.0 0.0 0.0 DC
DT
DG
HOH
 8.934
6.591
8.279
5.283
 O
O
O
O
 O3'
OP1
OP2
O
ALA E:111 E:111 0.0 0.0 H -57.3 -48.9 0.0 0.0 0.0 DT
DG
DA
HOH
 8.872
6.601
8.627
5.989
 O
O
O
CB
 O3'
OP1
OP2
O
4j8u 1 P84233 93.33 2e-86 X-RAY
 2013-04-17 ALA A:111 A:111 0.0 0.0 H -59.1 -48.4 0.0 0.0 0.0 DC
DT
DG
 9.140
6.744
8.233
 O
CB
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -57.9 -52.1 0.0 0.0 0.0 DC
DT
DG
 9.040
6.656
8.394
 CB
CB
O
 O3'
OP1
OP2
4j8v 1 P84233 93.33 2e-86 X-RAY
 2013-05-08 ALA A:111 A:111 0.0 0.0 H -59.2 -47.0 0.0 0.0 0.0
ALA E:111 E:111 0.0 0.0 H -59.0 -50.7 NA NA NA
4j8w 1 P84233 93.33 2e-86 X-RAY
 2013-04-17 ALA A:111 A:111 0.0 0.0 H -62.3 -48.6 0.0 0.0 0.0 DC
DT
DG
 9.081
6.676
8.202
 CB
CB
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -59.7 -47.9 0.0 0.0 0.0 DC
DT
DG
 9.023
6.612
8.400
 CB
CB
O
 O3'
OP1
OP2
4j8x 1 P84233 93.33 2e-86 X-RAY
 2013-05-08 ALA A:111 A:111 0.0 0.0 H -64.1 -49.3 0.0 0.0 0.0 DC
DT
DG
 9.122
6.751
8.427
 O
CB
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -52.1 -59.0 NA NA NA
4r8p 1 P84233 93.33 2e-86 X-RAY
 2014-11-05 ALA A:111 A:111 0.0 0.0 H -66.2 -44.2 0.0 0.0 0.0 DC
DG
DC
 8.867
6.488
8.481
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -75.2 -43.6 0.0 0.0 0.0 DG
DA
DC
 8.886
6.474
8.399
 O
O
O
 O3'
OP1
OP2
4wu8 3 P84233 93.33 2e-86 X-RAY
 2015-09-02 ALA C:111 A:111 0.0 0.0 H -58.0 -53.6 0.0 0.0 0.0 DC
DT
DG
HOH
 8.948
6.585
8.410
6.090
 CB
CB
O
CB
 O3'
OP1
OP2
O
ALA G:111 E:111 0.0 0.0 H -63.4 -52.2 0.0 0.0 0.0 DC
DT
DG
HOH
 9.021
6.602
8.492
5.874
 CB
CB
O
CB
 O3'
OP1
OP2
O
4wu9 1 P84233 93.33 2e-86 X-RAY
 2015-09-02 ALA A:111 A:111 0.0 0.0 H -61.1 -54.3 0.0 0.0 0.0 DC
DT
DG
 8.893
6.684
8.379
 CB
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -64.9 -46.8 0.0 0.0 0.0 DC
DT
DG
HOH
 9.101
6.743
8.211
5.846
 O
CB
O
CB
 O3'
OP1
OP2
O
4xuj 1 P84233 93.33 2e-86 X-RAY
 2016-01-27 ALA A:111 A:111 0.0 0.0 H -58.8 -47.0 0.0 0.0 0.0 DC
DT
DG
 8.949
6.566
8.143
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -59.4 -53.1 0.0 0.0 0.0 DC
DT
DG
 9.030
6.625
8.327
 CB
CB
O
 O3'
OP1
OP2
5cp6 3 P84233 93.33 2e-86 X-RAY
 2016-06-01 ALA C:111 A:111 0.0 0.0 H -62.7 -57.2 0.0 0.0 0.0 DC
DT
DG
HOH
 9.011
6.594
8.607
6.356
 CB
CB
O
CB
 O3'
OP1
OP2
O
ALA G:111 E:111 0.0 0.0 H -60.5 -52.3 0.0 0.0 0.0 DC
DT
DG
HOH
 8.903
6.508
8.484
5.881
 CB
CB
O
CB
 O3'
OP1
OP2
O
5dnm 1 P84233 93.33 2e-86 X-RAY
 2016-09-14 ALA A:111 A:111 0.0 0.0 H -60.5 -47.4 0.0 0.0 0.0 DC
DT
DG
 9.000
6.598
8.481
 CB
CB
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -52.8 -50.3 0.0 0.0 0.0 DC
DT
DG
 8.948
6.514
8.504
 CB
CB
O
 O3'
OP1
OP2
5dnn 1 P84233 93.33 2e-86 X-RAY
 2016-09-14 ALA A:111 A:111 0.0 0.0 H -57.0 -51.5 0.0 0.0 0.0 DC
DT
DG
AUF
AUF
 8.943
6.574
8.437
6.570
8.524
 CB
CB
O
C
N
 O3'
OP1
OP2
C4
AU1
ALA E:111 E:111 0.0 0.0 H -48.9 -55.7 0.0 0.0 0.0 DC
DT
DG
AUF
AUF
 8.954
6.526
8.458
8.371
6.371
 CB
CB
O
N
C
 O3'
OP1
OP2
AU1
C4
5hq2 1 P84233 93.33 2e-86 X-RAY
 2016-03-23 ALA A:111 A:111 7.0 0.061 H -105.4 -27.2 7.0 0.061 0.0 DC
DG
DC
 8.948
6.542
8.428
 O
O
CB
 O3'
OP1
OP2
5nl0 1 P84233 93.33 2e-86 X-RAY
 2017-05-17 ALA A:111 A:111 0.0 0.0 H -53.8 -51.1 0.0 0.0 0.0 DC
DG
DG
 9.326
6.886
8.599
 CB
CB
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -57.8 -53.6 0.0 0.0 0.0 DC
DG
DG
 9.285
6.886
8.719
 CB
CB
O
 O3'
OP1
OP2
ALA K:111 K:111 0.0 0.0 H -57.6 -52.8 NA NA NA
5oxv 5 P84233 93.33 2e-86 X-RAY
 2017-10-11 ALA E:111 O:111 0.0 0.0 H -48.5 -57.9 0.0 0.0 0.0 DG
DA
DC
 8.915
6.513
8.363
 O
O
O
 O3'
OP1
OP2
ALA I:111 K:111 0.0 0.0 H -53.7 -52.3 0.0 0.0 0.0 DC
DG
DC
 8.744
6.336
8.920
 O
O
O
 O3'
OP1
OP2
ALA N:111 E:111 0.0 0.0 H -48.5 -58.0 0.0 0.0 0.0 DG
DA
DC
 8.914
6.512
8.363
 O
O
O
 O3'
OP1
OP2
ALA R:111 A:111 0.0 0.0 H -53.7 -52.3 0.0 0.0 0.0 DC
DG
DC
 8.745
6.338
8.919
 O
O
O
 O3'
OP1
OP2
5oy7 2 Q92133 93.33 2e-86 X-RAY
 2017-09-20 ALA B:111 M:111 0.0 0.0 H -48.4 -58.0 0.0 0.0 0.0 DG
DA
DC
 8.914
6.513
8.364
 O
O
O
 O3'
OP1
OP2
ALA F:111 Q:111 0.0 0.0 H -53.7 -52.3 0.0 0.0 0.0 DC
DG
DC
 8.744
6.337
8.919
 O
O
O
 O3'
OP1
OP2
ALA H:111 I:111 0.0 0.0 H -53.7 -52.3 0.0 0.0 0.0 DC
DG
DC
 8.745
6.337
8.919
 O
O
O
 O3'
OP1
OP2
ALA J:111 A:111 0.0 0.0 H -53.7 -52.4 0.0 0.0 0.0 DC
DG
DC
 8.747
6.337
8.920
 O
O
O
 O3'
OP1
OP2
ALA N:111 E:111 0.0 0.0 H -48.6 -57.8 0.0 0.0 0.0 DG
DA
DC
 8.914
6.512
8.363
 O
O
O
 O3'
OP1
OP2
ALA U:111 U:111 0.0 0.0 H -48.5 -57.9 0.0 0.0 0.0 DG
DA
DC
 8.915
6.515
8.366
 O
O
O
 O3'
OP1
OP2
ALA Y:111 Y:111 0.0 0.0 H -53.7 -52.3 0.0 0.0 0.0 DC
DG
DC
 8.743
6.336
8.920
 O
O
O
 O3'
OP1
OP2
ALA CA:111 c:111 0.0 0.0 H -48.5 -57.9 0.0 0.0 0.0 DG
DA
DC
 8.913
6.512
8.365
 O
O
O
 O3'
OP1
OP2
5xf6 1 P84233 93.33 2e-86 X-RAY
 2017-10-11 ALA A:111 A:111 0.0 0.0 H -59.0 -47.6 0.0 0.0 0.0 DC
DT
DG
 8.976
6.582
8.483
 CB
CB
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -54.8 -45.8 0.0 0.0 0.0 DC
DT
DG
 8.923
6.471
8.272
 CB
CB
O
 O3'
OP1
OP2
5z3l 1 P84233 93.33 2e-86 EM
 2019-04-03 ALA A:111 A:111 1.0 0.009 H -72.7 -46.6 1.0 0.009 0.0 DG
DA
 9.409
7.008
 O
O
 O3'
OP1
ALA E:111 E:111 1.0 0.009 H -72.6 -46.6 1.0 0.009 0.0 DG
DC
 8.042
9.947
 O
O
 OP2
OP2
5z3o 1 P84233 93.33 2e-86 EM
 2019-04-03 ALA A:111 A:111 0.0 0.0 H -65.6 -50.7 0.0 0.0 0.0 DG
DA
 9.281
6.905
 O
O
 O3'
OP1
ALA E:111 E:111 1.0 0.009 H -65.5 -50.8 1.0 0.009 0.0 DG
DC
 7.724
9.289
 O
O
 OP2
OP2
5z3u 2 P84233 93.33 2e-86 EM
 2019-05-22 ALA B:111 A:111 0.0 0.0 H -61.2 -45.6 0.0 0.0 0.0 DG
DA
DC
 9.557
7.113
9.136
 O
O
O
 O3'
OP1
OP2
ALA F:111 E:111 0.0 0.0 H -61.2 -45.6 0.0 0.0 0.0 DC
DG
DC
 9.533
7.136
9.108
 O
O
O
 O3'
OP1
OP2
5z3v 2 P84233 93.33 2e-86 EM
 2019-05-22 ALA B:111 A:111 0.0 0.0 H -59.1 -43.5 0.0 0.0 0.0 DG
DA
DC
 9.139
6.721
8.856
 O
O
O
 O3'
OP1
OP2
ALA F:111 E:111 0.0 0.0 H -59.1 -43.5 0.0 0.0 0.0 DC
DG
DC
 9.505
7.274
8.908
 O
O
O
 O3'
OP1
OP2
6esf 1 P84233 93.33 2e-86 EM
 2017-12-20 ALA A:111 A:111 0.0 0.0 H -73.0 -29.3 0.0 0.0 0.0 DG
DA
DC
 8.656
6.308
8.474
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -72.5 -32.5 0.0 0.0 0.0 DC
DG
DC
 8.554
6.414
8.574
 O
O
O
 O3'
OP1
OP2
6esg 1 P84233 93.33 2e-86 EM
 2017-12-20 ALA A:111 A:111 1.0 0.009 H -71.5 -29.8 1.0 0.009 0.0 DG
DA
DC
 8.786
6.409
8.208
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 4.0 0.035 H -68.2 -36.0 4.0 0.035 0.0 DC
DG
DC
 9.800
7.355
9.478
 O
O
O
 O3'
OP1
OP2
6esh 1 P84233 93.33 2e-86 EM
 2017-12-20 ALA A:111 A:111 0.0 0.0 H -59.4 -42.3 0.0 0.0 0.0 DG
DA
DC
 8.723
6.447
8.477
 O
CB
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -63.0 -53.1 0.0 0.0 0.0 DC
DG
DC
 8.486
6.181
9.408
 CB
CB
O
 O3'
OP1
OP2
6esi 1 P84233 93.33 2e-86 EM
 2017-12-20 ALA A:111 A:111 1.0 0.009 H -65.5 -54.2 1.0 0.009 0.0 DG
DA
DC
 8.467
6.260
7.348
 CB
CB
O
 O3'
OP1
OP2
ALA E:111 E:111 13.0 0.113 H -65.0 -46.9 8.0 0.07 0.043 F:P62799:0.043
 DC
DG
DC
 9.391
7.001
8.372
 O
O
O
 O3'
OP1
OP2
6iro 2 A0A310TTQ1 93.33 2e-86 EM
 2019-04-03 ALA B:111 A:111 0.0 0.0 H -65.3 -39.8 0.0 0.0 0.0 DG
DA
 9.400
7.181
 O
O
 O3'
OP1
ALA F:111 E:111 0.0 0.0 H -83.3 -43.7 0.0 0.0 0.0 DC
DG
DC
 9.725
7.485
9.058
 O
O
O
 O3'
OP1
OP2
6jyl 1 A0A310TTQ1 93.33 2e-86 EM
 2019-05-29 ALA A:111 A:111 0.0 0.0 H -72.6 -28.4 0.0 0.0 0.0 DG
DA
DC
 9.140
6.856
9.048
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -72.0 -31.6 0.0 0.0 0.0 DC
DG
DC
 9.203
6.918
8.931
 O
O
O
 O3'
OP1
OP2
6k1p 1 A0A310TTQ1 93.33 2e-86 EM
 2019-05-29 ALA A:111 A:111 0.0 0.0 H -71.1 -43.7 0.0 0.0 0.0 DG
DA
DC
 9.380
7.170
9.567
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -72.8 -31.7 0.0 0.0 0.0 DC
DG
DC
 9.710
7.528
9.065
 O
O
O
 O3'
OP1
OP2
6kiu 1 A0A310TTQ1 93.33 2e-86 EM
 2019-09-11 ALA A:111 A:111 0.0 0.0 H -66.8 -33.8 0.0 0.0 0.0 DC
DG
DC
 9.583
7.332
9.237
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 1.0 0.009 H -66.6 -33.9 1.0 0.009 0.0 DG
DA
DC
 9.332
6.994
9.156
 O
O
O
 O3'
OP1
OP2
6kiv 1 A0A310TTQ1 93.33 2e-86 EM
 2019-09-11 ALA A:111 A:111 0.0 0.0 H -69.4 -30.4 0.0 0.0 0.0 DC
DG
DC
 9.934
7.628
9.092
 O
O
O
 O3'
OP2
OP2
ALA E:111 E:111 0.0 0.0 H -69.4 -30.5 0.0 0.0 0.0 DG
DA
DC
 9.095
6.794
8.990
 O
O
O
 O3'
OP1
OP2
6kiw 1 A0A310TTQ1 93.33 2e-86 EM
 2019-09-11 ALA A:111 A:111 0.0 0.0 H -70.9 -35.2 0.0 0.0 0.0 DC
DG
DC
 10.000
7.763
8.976
 O
O
O
 O3'
OP2
OP2
ALA E:111 E:111 0.0 0.0 H -70.9 -35.1 0.0 0.0 0.0 DG
DA
DC
 9.144
6.771
9.076
 O
O
O
 O3'
OP1
OP2
6kix 1 A0A310TTQ1 93.33 2e-86 EM
 2019-09-11 ALA A:111 A:111 0.0 0.0 H -71.5 -35.0 0.0 0.0 0.0 DC
DG
DC
 9.888
7.422
9.458
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -71.5 -35.0 0.0 0.0 0.0 DG
DA
DC
 9.372
7.007
9.052
 O
O
O
 O3'
OP1
OP2
6kiz 1 A0A310TTQ1 93.33 2e-86 EM
 2019-09-11 ALA A:111 A:111 1.0 0.009 H -69.9 -30.3 1.0 0.009 0.0 DG
DC
 7.736
9.086
 O
O
 OP2
OP2
ALA E:111 E:111 1.0 0.009 H -69.9 -30.4 1.0 0.009 0.0 DG
DA
DC
 9.198
6.819
9.336
 O
O
O
 O3'
OP1
OP2
6nn6 1 P84233 93.33 2e-86 EM
 2019-02-13 ALA A:111 A:111 0.0 0.0 H -73.3 -29.7 0.0 0.0 0.0 DC
DG
DC
 9.369
7.072
9.200
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -75.2 -30.7 0.0 0.0 0.0 DG
DA
DC
 9.437
7.026
9.357
 O
O
O
 O3'
OP1
OP2
6nog 1 P84233 93.33 2e-86 EM
 2019-02-20 ALA A:111 A:111 0.0 0.0 H -67.2 -38.9 0.0 0.0 0.0 DA
DC
 7.727
9.405
 O
O
 OP1
OP2
ALA B:111 E:111 0.0 0.0 H -75.6 -28.2 0.0 0.0 0.0 DG
DC
 7.849
8.987
 O
O
 OP1
OP2
6o96 1 P84233 93.33 2e-86 EM
 2019-04-24 ALA A:111 A:111 0.0 0.0 H -70.9 -31.6 0.0 0.0 0.0 DG
DA
DG
 8.586
6.162
8.334
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -69.7 -36.9 0.0 0.0 0.0 DC
DG
DG
 9.160
6.813
8.452
 O
O
O
 O3'
OP1
OP2
6om3 1 P84233 93.33 2e-86 X-RAY
 2019-07-10 ALA A:111 A:111 0.0 0.0 H -69.9 -40.2 0.0 0.0 0.0 DG
DA
DG
 8.639
6.218
8.108
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 1.0 0.009 H -74.4 -40.6 1.0 0.009 0.0 DC
DG
DG
 9.193
6.824
8.456
 O
O
O
 O3'
OP1
OP2
ALA M:111 M:111 0.0 0.0 H -70.7 -37.7 NA NA NA
ALA Q:111 Q:111 0.0 0.0 H -66.2 -42.4 NA NA NA
6pa7 1 P84233 93.33 2e-86 EM
 2020-06-17 ALA A:111 A:111 0.0 0.0 H -63.4 -53.1 0.0 0.0 0.0 DG
DA
DC
 8.711
6.386
8.688
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -63.3 -53.4 0.0 0.0 0.0 DC
DG
DC
 8.732
6.399
8.576
 O
O
O
 O3'
OP1
OP2
6r1u 1 P84233 93.33 2e-86 EM
 2019-04-24 ALA A:111 A:111 0.0 0.0 H -72.9 -29.3 0.0 0.0 0.0 DG
DA
DC
 8.657
6.309
8.474
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -72.4 -32.5 0.0 0.0 0.0 DC
DG
DC
 8.554
6.414
8.575
 O
O
O
 O3'
OP1
OP2
6r25 4 A0A310TTQ1 93.33 2e-86 EM
 2019-04-24 ALA D:111 A:111 0.0 0.0 H -72.9 -29.3 0.0 0.0 0.0 DG
DA
DC
 8.657
6.308
8.474
 O
O
O
 O3'
OP1
OP2
ALA H:111 E:111 1.0 0.009 H -72.4 -32.5 1.0 0.009 0.0 DC
DG
DC
 8.555
6.415
8.576
 O
O
O
 O3'
OP1
OP2
6t9l 1 P84233 93.33 2e-86 EM
 2020-01-29 ALA A:111 A:111 0.0 0.0 H -67.1 -35.2 0.0 0.0 0.0 DC
DG
DC
 9.926
7.704
8.927
 O
O
O
 O3'
OP2
OP2
ALA E:111 E:111 0.0 0.0 H -67.6 -33.4 0.0 0.0 0.0 DG
DA
DC
 9.831
7.512
9.324
 O
O
O
 O3'
OP1
OP2
6tda 1 P84233 93.33 2e-86 EM
 2020-03-18 ALA A:111 A:111 0.0 0.0 H -70.2 -39.6 0.0 0.0 0.0 DG
DA
DC
 9.533
7.073
9.347
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -69.0 -37.4 0.0 0.0 0.0 DC
DG
DC
 8.921
6.536
9.199
 O
O
O
 O3'
OP1
OP2
6uxw 1 P84233 93.33 2e-86 EM
 2020-03-18 ALA A:111 R:111 0.0 0.0 H -59.2 -43.4 0.0 0.0 0.0 DG
DA
DC
 9.139
6.721
8.857
 O
O
O
 O3'
OP1
OP2
ALA E:111 V:111 0.0 0.0 H -59.2 -43.5 0.0 0.0 0.0 DC
DG
DC
 9.504
7.274
8.907
 O
O
O
 O3'
OP1
OP2
6wz5 1 P84233 93.33 2e-86 EM
 2020-09-16 ALA A:111 A:111 0.0 0.0 H -68.9 -43.4 0.0 0.0 0.0 DG
DA
DC
 9.095
6.817
8.362
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -74.1 -37.4 0.0 0.0 0.0 DC
DG
DC
 9.016
6.645
8.431
 O
O
O
 O3'
OP1
OP2
6wz9 1 P84233 93.33 2e-86 EM
 2020-09-16 ALA A:111 A:111 0.0 0.0 H -69.0 -43.5 0.0 0.0 0.0 DG
DA
DC
 9.089
6.706
8.118
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -74.4 -37.6 0.0 0.0 0.0 DC
DG
DC
 9.068
6.677
8.620
 O
O
O
 O3'
OP1
OP2
6x0n 1 P84233 93.33 2e-86 EM
 2020-09-16 ALA A:111 A:111 0.0 0.0 H -68.1 -42.7 0.0 0.0 0.0 DG
DA
DC
 9.510
7.103
8.809
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -73.3 -36.7 0.0 0.0 0.0 DC
DG
DC
 9.423
7.053
9.172
 O
CB
O
 O3'
OP1
OP2
ALA K:111 a:111 0.0 0.0 H -67.6 -42.5 0.0 0.0 0.0 DG
DA
DC
 9.175
6.743
8.755
 O
O
O
 O3'
OP1
OP2
ALA O:111 e:111 0.0 0.0 H -74.3 -37.0 0.0 0.0 0.0 DC
DG
DC
 9.654
7.154
9.061
 CB
CB
O
 O3'
OP1
OP2
7at8 3 P84233 93.33 2e-86 EM
 2020-12-09 ALA C:111 D:111 0.0 0.0 H -66.5 -34.5 0.0 0.0 0.0 DC
DG
DC
 9.789
7.554
9.058
 O
O
O
 O3'
OP2
OP2
ALA G:111 H:111 0.0 0.0 H -67.3 -35.8 0.0 0.0 0.0 DA
 7.856
 CB
 OP1
7e8i 3 A0A310TTQ1 93.33 2e-86 EM
 2021-06-30 ALA C:111 A:111 0.0 0.0 H -56.8 -33.7 0.0 0.0 0.0 DC
DG
DC
 8.946
6.593
8.028
 O
O
O
 O3'
OP2
OP2
ALA G:111 E:111 0.0 0.0 H -65.6 -36.0 0.0 0.0 0.0 DG
DA
DC
 8.418
6.016
8.391
 O
O
O
 O3'
OP1
OP2
7oh9 1 P84233 93.33 2e-86 EM
 2021-07-28 ALA A:111 A:111 0.0 0.0 H -74.8 -40.9 0.0 0.0 0.0 DC
DG
DC
 9.142
6.933
8.442
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -74.9 -40.8 0.0 0.0 0.0 DG
DA
DC
 8.973
6.624
8.371
 O
O
O
 O3'
OP1
OP2
7oha 1 P84233 93.33 2e-86 EM
 2021-07-28 ALA A:111 A:111 0.0 0.0 H -79.8 -38.3 0.0 0.0 0.0 DC
DG
DC
 9.136
6.915
8.999
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -73.4 -45.3 0.0 0.0 0.0 DG
DA
DC
 9.188
6.997
8.808
 O
O
O
 O3'
OP1
OP2
7ohb 1 P84233 93.33 2e-86 EM
 2021-07-28 ALA A:111 A:111 0.0 0.0 H -70.5 -41.0 0.0 0.0 0.0 DC
DG
DC
 8.789
6.516
8.599
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -70.2 -40.4 0.0 0.0 0.0 DG
DA
DC
 8.778
6.495
8.874
 O
O
O
 O3'
OP1
OP2
7ohc 1 P84233 93.33 2e-86 EM
 2021-07-28 ALA A:111 A:111 0.0 0.0 H -79.4 -39.0 0.0 0.0 0.0 DC
DG
DC
 8.939
6.652
8.704
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -72.4 -45.5 0.0 0.0 0.0 DG
DA
DC
 9.166
6.983
8.802
 O
O
O
 O3'
OP1
OP2
6ugm 1 Q92133 93.33 2e-86 EM
 2019-11-20 GLY A:111 A:111 1.0 0.013 H -94.6 -41.3 1.0 0.013 0.0 DG
DA
DC
 9.310
7.061
8.852
 O
O
O
 O3'
OP1
OP2
GLY E:111 E:111 1.0 0.013 H -85.6 -23.7 1.0 0.013 0.0 DC
DG
DC
 9.221
6.879
8.847
 O
O
O
 O3'
OP1
OP2
6uh5 1 Q92133 93.33 2e-86 EM
 2019-11-20 GLY A:111 A:111 1.0 0.013 H -57.6 -54.4 1.0 0.013 0.0 DG
DA
DC
 9.078
6.759
9.073
 O
O
O
 O3'
OP1
OP2
GLY E:111 E:111 1.0 0.013 H -63.6 -44.6 1.0 0.013 0.0 DC
DG
DC
 9.337
6.989
8.733
 O
O
O
 O3'
OP1
OP2
3aze 1 P68431 92.65 2e-86 X-RAY
 2011-09-21 ALA A:115 A:111 0.0 0.0 H -71.7 -44.1 0.0 0.0 0.0 DC
DT
DG
 9.085
6.671
7.996
 O
O
O
 O3'
OP1
OP2
ALA E:115 E:111 0.0 0.0 H -73.1 -44.1 0.0 0.0 0.0 DT
DG
DA
 8.638
6.445
8.486
 O
CB
O
 O3'
OP1
OP2
3azh 1 P68431 92.65 2e-86 X-RAY
 2011-09-21 ALA A:115 A:111 0.0 0.0 H -58.5 -48.8 0.0 0.0 0.0 DC
DT
DG
 9.149
6.746
8.425
 O
O
O
 O3'
OP1
OP2
ALA E:115 E:111 0.0 0.0 H -52.4 -60.5 0.0 0.0 0.0 DT
DG
DA
CL
 9.278
6.792
8.768
9.989
 CB
CB
O
CA
 O3'
OP1
OP2
CL
3azg 1 P68431 92.65 2e-86 X-RAY
 2011-09-21 ALA A:115 A:111 0.0 0.0 H -63.6 -44.8 0.0 0.0 0.0 DC
DT
DG
HOH
 8.993
6.633
8.333
4.913
 O
O
O
O
 O3'
OP1
OP2
O
ALA E:115 E:111 0.0 0.0 H -66.0 -52.8 0.0 0.0 0.0 DT
DG
DA
HOH
 9.065
6.632
8.657
5.081
 CB
CB
O
O
 O3'
OP1
OP2
O
3ayw 1 P68431 92.65 2e-86 X-RAY
 2011-09-21 ALA A:115 A:111 0.0 0.0 H -57.5 -47.7 0.0 0.0 0.0 DC
DT
DG
 9.144
6.794
8.205
 O
O
O
 O3'
OP1
OP2
ALA E:115 E:111 0.0 0.0 H -66.9 -42.8 0.0 0.0 0.0 DT
DG
DA
 9.182
6.782
8.553
 O
O
O
 O3'
OP1
OP2
1f66 2 Q7ZT64 92.65 3e-86 X-RAY
 2000-11-27 ALA C:112 A:511 0.0 0.0 H -65.1 -48.7 0.0 0.0 0.0 DC
DG
DG
HOH
 9.141
6.726
8.290
5.922
 O
CB
O
CB
 O3'
OP1
OP2
O
ALA G:112 E:711 0.0 0.0 H -58.8 -59.1 0.0 0.0 0.0 DG
DG
DA
HOH
 9.148
6.778
8.691
5.884
 CB
CB
O
CB
 O3'
OP1
OP2
O
7m1x 3 A0A310TTQ1 92.65 3e-86 EM
 2021-09-29 ALA C:112 A:511 0.0 0.0 H -70.8 -42.7 0.0 0.0 0.0 DG
DA
DC
 9.628
7.462
8.706
 O
O
O
 O3'
OP2
OP2
ALA G:112 E:711 1.0 0.009 H -68.7 -39.1 1.0 0.009 0.0 DG
DC
 7.810
8.829
 O
O
 OP2
OP2
7e8d 1 P68431 93.33 4e-86 EM
 2021-11-10 ALA A:111 A:111 0.0 0.0 H -63.1 -43.1 0.0 0.0 0.0 DG
DA
DC
 9.029
6.687
8.891
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -56.4 -48.8 0.0 0.0 0.0 DC
DG
DC
 9.465
7.191
8.728
 O
CB
O
 O3'
OP1
OP2
6x59 1 Q71DI3 93.33 4e-86 EM
 2020-09-16 ALA A:111 A:111 0.0 0.0 H -59.2 -49.2 0.0 0.0 0.0 DC
DG
DC
 9.615
7.327
9.125
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -59.2 -49.1 0.0 0.0 0.0 DG
DA
DC
 9.513
7.252
9.161
 O
O
O
 O3'
OP1
OP2
6x5a 1 Q71DI3 93.33 4e-86 EM
 2020-09-16 ALA A:111 A:111 0.0 0.0 H -58.6 -48.4 0.0 0.0 0.0 DC
DG
DC
 9.535
7.106
9.793
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -58.5 -48.5 0.0 0.0 0.0 DG
DA
DC
 9.759
7.480
9.869
 O
O
O
 O3'
OP1
OP2
6xjd 1 Q71DI3 93.33 4e-86 EM
 2020-09-16 ALA A:111 A:111 5.0 0.043 H -60.3 -33.9 5.0 0.043 0.0 DC
DG
 9.422
7.174
 O
O
 O3'
OP1
ALA E:111 E:111 4.0 0.035 H -60.4 -33.9 4.0 0.035 0.0 DG
DA
DC
 8.968
7.030
9.681
 O
O
O
 O3'
OP1
OP2
7jzv 5 Q71DI3 93.33 4e-86 EM
 2021-02-17 ALA E:111 P:111 0.0 0.0 H -65.5 -39.2 0.0 0.0 0.0 DG
DA
DC
 8.825
6.434
8.614
 O
O
O
 O3'
OP1
OP2
ALA K:111 p:111 0.0 0.0 H -65.5 -44.2 0.0 0.0 0.0 DC
DG
DC
 8.779
6.356
8.487
 O
O
O
 O3'
OP1
OP2
3x1s 1 P68431 93.33 5e-86 X-RAY
 2015-09-23 ALA A:111 A:111 0.0 0.0 H -71.9 -40.6 0.0 0.0 0.0 DC
DT
DG
 8.981
6.661
8.181
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -68.7 -42.6 0.0 0.0 0.0 DT
DG
DA
 8.722
6.341
8.650
 O
O
O
 O3'
OP1
OP2
3x1t 2 P68431 93.33 5e-86 X-RAY
 2015-09-23 ALA C:111 A:111 0.0 0.0 H -64.9 -39.9 0.0 0.0 0.0 DC
DT
DG
HOH
 9.181
6.964
8.396
7.460
 O
O
O
O
 O3'
OP1
OP2
O
ALA G:111 E:111 0.0 0.0 H -70.1 -41.5 0.0 0.0 0.0 DT
DG
DA
HOH
 9.040
6.638
8.499
5.909
 O
O
O
CB
 O3'
OP1
OP2
O
3x1u 2 P68431 93.33 5e-86 X-RAY
 2015-09-23 ALA C:111 A:111 0.0 0.0 H -72.2 -43.6 0.0 0.0 0.0 DC
DT
DG
 8.947
6.872
8.129
 O
O
O
 O3'
OP1
OP2
ALA G:111 E:111 0.0 0.0 H -71.0 -45.1 0.0 0.0 0.0 DT
DG
DA
 8.756
6.329
8.357
 O
O
O
 O3'
OP1
OP2
3x1v 2 P68431 93.33 5e-86 X-RAY
 2015-09-23 ALA C:111 A:111 0.0 0.0 H -63.0 -42.7 0.0 0.0 0.0 DC
DT
DG
HOH
 9.085
6.719
8.097
6.045
 O
O
O
O
 O3'
OP1
OP2
O
ALA G:111 E:111 0.0 0.0 H -63.4 -40.8 0.0 0.0 0.0 DT
DG
DA
HOH
 8.769
6.389
8.330
9.376
 O
O
O
O
 O3'
OP1
OP2
O
5gsu 1 P68431 93.33 5e-86 X-RAY
 2017-02-15 ALA A:111 A:111 0.0 0.0 H -65.9 -42.1 0.0 0.0 0.0 DC
DT
DG
 8.970
6.850
8.312
 O
O
O
 O3'
OP1
OP2
ALA B:111 E:111 0.0 0.0 H -64.8 -45.7 0.0 0.0 0.0 DT
DG
DA
 8.775
6.421
8.471
 O
O
O
 O3'
OP1
OP2
5gt0 1 P68431 93.33 5e-86 X-RAY
 2017-02-15 ALA A:111 A:111 0.0 0.0 H -60.7 -56.7 0.0 0.0 0.0 DC
DT
DG
 9.528
7.272
8.449
 O
CB
O
 O3'
OP1
OP2
ALA B:111 E:111 0.0 0.0 H -61.0 -52.9 0.0 0.0 0.0 DT
DG
DA
HOH
 9.081
6.742
8.851
7.672
 O
O
O
C
 O3'
OP1
OP2
O
5gt3 1 P68431 93.33 5e-86 X-RAY
 2017-02-15 ALA A:111 A:111 0.0 0.0 H -59.8 -43.3 0.0 0.0 0.0 DC
DT
DG
 9.296
7.199
8.415
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -58.4 -48.0 0.0 0.0 0.0 DT
DG
DA
 9.212
6.856
8.548
 O
CB
O
 O3'
OP1
OP2
7bwd 5 P68431 93.33 5e-86 EM
 2021-04-14 ALA E:111 E:111 0.0 0.0 H -74.9 -32.9 0.0 0.0 0.0 DC
DG
DC
 9.390
7.005
9.323
 O
O
O
 O3'
OP1
OP2
ALA F:111 A:111 0.0 0.0 H -78.0 -40.0 0.0 0.0 0.0 DG
DA
DC
 9.652
7.349
9.207
 O
O
O
 O3'
OP1
OP2
6t90 5 P68431 93.28 8e-86 EM
 2020-05-06 ALA E:115 E:112 0.0 0.0 H -63.7 -37.7 0.0 0.0 0.0 DG
DA
DC
PTD
 9.358
7.016
9.034
8.488
 O
O
O
O
 O3'
OP1
OP2
C5
6yov 5 P68431 93.28 8e-86 EM
 2020-05-06 ALA E:115 E:112 0.0 0.0 H -64.8 -36.2 0.0 0.0 0.0 DG
DA
DC
PTD
 9.115
6.767
8.805
9.572
 O
O
O
O
 O3'
OP1
OP2
C5
3kxb 1 P84233 92.59 9e-86 X-RAY
 2010-06-23 ALA A:111 A:111 0.0 0.0 H -62.3 -52.6 0.0 0.0 0.0 DC
DG
DG
HOH
 9.052
6.799
8.246
8.588
 O
O
O
CB
 O3'
OP1
OP1
O
ALA E:111 E:111 0.0 0.0 H -66.0 -49.2 0.0 0.0 0.0 DG
DG
DA
 9.124
6.696
8.362
 CB
CB
O
 O3'
OP1
OP1
4h9n 1 P84243 91.85 1e-85 X-RAY
 2012-10-10 THR A:111 A:111 43.0 0.307 -109.8 104.1 33.0 0.236 0.071 C:Q9UER7:0.071
 PO4
HOH
 8.294
2.699
 C
O
 O4
O
4h9q 1 P84243 91.85 1e-85 X-RAY
 2012-10-17 THR A:111 A:111 38.0 0.271 -105.2 103.1 29.0 0.207 0.064 C:Q9UER7:0.064
 PO4
HOH
 8.276
2.637
 C
O
 O2
O
7cro 1 Q92133 92.59 1e-85 EM
 2020-10-21 GLY A:111 M:111 1.0 0.013 H -57.3 -30.4 1.0 0.013 0.0 DG
DA
DC
 9.446
7.064
9.214
 O
O
O
 O3'
OP1
OP2
GLY E:111 E:111 1.0 0.013 H -60.2 -26.1 1.0 0.013 0.0 DC
DG
DC
 9.228
6.772
9.408
 O
O
O
 O3'
OP1
OP2
7crp 1 Q92133 92.59 1e-85 EM
 2020-10-21 GLY A:111 M:111 3.0 0.04 H -57.2 -38.6 3.0 0.04 0.0 DG
DA
DC
 9.804
7.550
9.170
 O
O
O
 O3'
OP1
OP2
GLY E:111 E:111 4.0 0.053 H -64.9 -44.2 4.0 0.053 0.0 DG
DC
 7.914
9.392
 O
O
 OP2
OP2
7crq 1 Q92133 92.59 1e-85 EM
 2020-10-21 GLY A:111 M:111 2.0 0.027 H -57.7 -37.3 2.0 0.027 0.0 DG
DA
DC
 9.724
7.380
9.267
 O
O
O
 O3'
OP1
OP2
GLY E:111 E:111 3.0 0.04 H -62.3 -46.3 3.0 0.04 0.0 DC
DG
DC
 9.984
7.962
9.343
 O
O
O
 O3'
OP1
OP2
7crr 1 Q92133 92.59 1e-85 EM
 2020-10-21 GLY A:111 M:111 2.0 0.027 H -62.7 -45.1 2.0 0.027 0.0 DG
DA
DC
 9.449
7.164
9.124
 O
O
O
 O3'
OP1
OP2
GLY E:111 E:111 1.0 0.013 H -60.4 -36.3 1.0 0.013 0.0 DC
DG
DC
 9.748
7.457
9.253
 O
O
O
 O3'
OP2
OP2
6r1u 9 A0A310TTQ1 92.59 2e-85 EM
 2019-04-24 ALA M:111 NA:NA DO NA DO DO DO NA NA NA
6r25 3 A0A310TTQ1 92.59 2e-85 EM
 2019-04-24 ALA C:111 NA:NA DO NA DO DO DO NA NA NA
6vyp 1 A0A310TTQ1 92.59 2e-85 X-RAY
 2020-05-27 ALA A:111 A:111 0.0 0.0 H -64.8 -39.6 0.0 0.0 0.0 DC
DG
DC
 8.734
6.296
8.837
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -64.7 -39.2 0.0 0.0 0.0 DG
DA
DC
 8.699
6.252
8.584
 O
O
O
 O3'
OP1
OP2
ALA K:111 a:111 0.0 0.0 H -64.7 -39.9 NA NA NA
ALA O:111 e:111 0.0 0.0 H -64.3 -39.8 NA NA NA
1zla 2 288992 92.59 2e-85 X-RAY
 2006-02-28 ALA C:111 A:511 0.0 0.0 H -60.1 -48.6 0.0 0.0 0.0 DC
DG
DG
HOH
 9.135
6.662
8.304
5.556
 O
O
O
CB
 O3'
OP1
OP2
O
ALA G:111 E:711 0.0 0.0 H -67.5 -52.4 0.0 0.0 0.0 DG
DG
DA
HOH
 9.032
6.558
8.634
7.472
 CB
CB
O
CB
 O3'
OP1
OP2
O
5b1l 1 ? 91.18 3e-85 X-RAY
 2017-02-15 ALA A:115 A:111 0.0 0.0 H -55.5 -49.8 0.0 0.0 0.0 DC
DT
DG
HOH
 9.088
6.655
8.101
5.033
 O
CB
O
O
 O3'
OP1
OP2
O
ALA E:115 E:111 0.0 0.0 H -56.2 -48.2 0.0 0.0 0.0 DT
DG
DA
HOH
 8.796
6.496
8.575
5.886
 O
O
O
CB
 O3'
OP1
OP2
O
3c1c 1 P02302 92.59 4e-85 X-RAY
 2008-10-07 ALA A:111 A:511 0.0 0.0 H -65.3 -43.5 0.0 0.0 0.0 DC
DG
DG
HOH
 9.158
6.708
8.399
8.494
 O
O
O
O
 O3'
OP1
OP2
O
ALA E:111 E:711 0.0 0.0 H -45.5 -59.5 0.0 0.0 0.0 DG
DG
DA
HOH
 9.229
6.738
8.572
9.392
 CB
CB
O
O
 O3'
OP1
OP2
O
5f99 1 P84233 92.59 4e-85 X-RAY
 2016-02-03 ALA A:111 A:111 1.0 0.009 H -62.1 -55.1 1.0 0.009 0.0 DC
DT
DT
CL
HOH
 8.981
6.620
8.442
9.907
6.212
 CB
CB
O
CB
CB
 O3'
OP1
OP2
CL
O
ALA E:111 E:111 0.0 0.0 H -61.4 -48.4 0.0 0.0 0.0 DA
DA
DG
CL
HOH
 8.747
6.341
8.224
9.751
5.484
 O
O
O
CB
O
 O3'
OP1
OP2
CL
O
5omx 3 P84233 92.59 4e-85 X-RAY
 2017-11-15 ALA C:111 A:111 0.0 0.0 H -64.0 -47.4 0.0 0.0 0.0 DT
DG
DG
CL
HOH
 9.125
6.715
8.411
9.788
6.268
 O
O
O
CB
C
 O3'
OP1
OP2
CL
O
ALA G:111 E:111 0.0 0.0 H -68.4 -49.6 0.0 0.0 0.0 DT
DG
DG
HOH
 9.203
6.784
8.609
6.135
 O
CB
O
C
 O3'
OP1
OP2
O
6s01 1 A0A310TTQ1 92.59 4e-85 EM
 2019-12-18 ALA A:111 A:111 0.0 0.0 H -77.5 -31.2 0.0 0.0 0.0 DC
DG
DC
 8.960
6.686
8.897
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -76.2 -36.4 0.0 0.0 0.0 DG
DA
DC
 9.128
6.869
8.781
 O
O
O
 O3'
OP1
OP2
6nj9 1 P84233 92.59 7e-85 EM
 2019-02-20 ALA A:111 A:111 0.0 0.0 H -67.8 -40.1 0.0 0.0 0.0 DG
DA
DC
 9.501
7.378
8.909
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -67.8 -40.1 0.0 0.0 0.0 DC
DG
DC
 9.563
7.457
8.907
 O
O
O
 O3'
OP1
OP2
6nqa 8 P84233 92.59 7e-85 EM
 2019-02-20 ALA H:111 E:111 0.0 0.0 H -83.7 -31.6 0.0 0.0 0.0 DG
DA
DC
 9.506
7.113
9.187
 O
O
O
 O3'
OP1
OP2
ALA I:111 A:111 0.0 0.0 H -90.9 -29.5 0.0 0.0 0.0 DC
DG
DC
 9.849
7.518
9.011
 O
O
O
 O3'
OP1
OP2
3a6n 1 Q16695 90.44 8e-85 X-RAY
 2010-05-26 VAL A:115 A:111 0.0 0.0 H -61.0 -51.3 0.0 0.0 0.0 DC
DT
DG
CL
HOH
 7.678
5.357
8.883
9.484
8.479
 CG1
CG1
O
CG2
CB
 O3'
OP1
OP2
CL
O
VAL E:115 E:111 0.0 0.0 H -53.1 -59.7 0.0 0.0 0.0 DT
DG
DA
CL
HOH
 7.593
5.195
9.046
9.968
4.950
 CG1
CG1
O
CG2
CG1
 O3'
OP1
OP2
CL
O
1p3b 2 Q7ZT64 91.85 2e-84 X-RAY
 2004-02-24 ALA C:111 A:511 0.0 0.0 H -66.0 -50.9 0.0 0.0 0.0 DC
DG
DG
HOH
 9.189
6.702
9.742
6.077
 CB
CB
O
N
 O3'
OP1
OP2
O
ALA G:111 E:711 0.0 0.0 H -54.1 -57.4 0.0 0.0 0.0 DG
DG
DA
HOH
 8.970
6.490
8.694
7.673
 CB
CB
O
C
 O3'
OP1
OP2
O
1p3f 2 Q7ZT64 91.85 2e-84 X-RAY
 2004-02-24 ALA C:111 A:511 0.0 0.0 H -71.9 -44.7 0.0 0.0 0.0 DC
DG
DG
HOH
 9.193
6.761
8.533
5.943
 O
CB
O
N
 O3'
OP1
OP2
O
ALA G:111 E:711 0.0 0.0 H -55.6 -54.6 0.0 0.0 0.0 DG
DG
DA
HOH
 9.118
6.634
8.738
6.162
 CB
CB
O
CB
 O3'
OP1
OP2
O
1p3g 2 Q7ZT64 91.85 2e-84 X-RAY
 2004-02-24 ALA C:111 A:511 0.0 0.0 H -62.6 -47.3 0.0 0.0 0.0 DC
DG
DG
HOH
 9.221
6.983
8.288
6.019
 O
CB
O
N
 O3'
OP1
OP2
O
ALA G:111 E:711 0.0 0.0 H -70.5 -47.0 0.0 0.0 0.0 DG
DG
DA
HOH
 9.055
6.666
8.467
5.201
 O
CB
O
O
 O3'
OP1
OP2
O
1p3i 2 Q7ZT64 91.85 2e-84 X-RAY
 2004-02-24 ALA C:111 A:511 0.0 0.0 H -67.1 -44.9 0.0 0.0 0.0 DC
DG
DG
HOH
 8.994
6.541
8.004
5.254
 CB
CB
O
O
 O3'
OP1
OP2
O
ALA G:111 E:711 0.0 0.0 H -65.2 -51.7 0.0 0.0 0.0 DG
DG
DA
HOH
 8.961
6.491
8.442
5.952
 CB
CB
O
CB
 O3'
OP1
OP2
O
1p3o 2 Q7ZT64 91.85 2e-84 X-RAY
 2004-02-24 ALA C:111 A:511 0.0 0.0 H -62.9 -45.3 0.0 0.0 0.0 DC
DG
DG
HOH
 9.047
6.621
8.111
5.969
 O
O
O
N
 O3'
OP1
OP2
O
ALA G:111 E:711 0.0 0.0 H -64.4 -54.2 0.0 0.0 0.0 DG
DG
DA
HOH
 9.147
6.653
8.619
5.339
 CB
CB
O
O
 O3'
OP1
OP2
O
1p3p 2 Q7ZT64 91.85 2e-84 X-RAY
 2004-02-24 ALA C:111 A:511 0.0 0.0 H -65.6 -50.3 0.0 0.0 0.0 DC
DG
DG
HOH
 9.205
6.810
8.326
4.879
 O
CB
O
O
 O3'
OP1
OP2
O
ALA G:111 E:711 0.0 0.0 H -63.5 -54.9 0.0 0.0 0.0 DG
DG
DA
HOH
 9.085
6.642
8.616
5.297
 CB
CB
O
O
 O3'
OP1
OP2
O
4h9o 1 P84243 91.11 2e-84 X-RAY
 2012-10-10 THR A:111 A:111 39.0 0.279 -104.6 102.8 29.0 0.207 0.072 C:Q9UER7:0.071
 PO4
HOH
 8.352
2.635
 C
OG1
 O1
O
6ven 1 P84233 91.85 3e-84 EM
 2020-01-15 ALA A:111 A:111 0.0 0.0 H -57.0 -52.1 0.0 0.0 0.0 DG
DA
DC
 9.217
6.830
8.763
 O
CB
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -57.6 -50.5 0.0 0.0 0.0 DC
DG
DC
 9.655
7.415
9.085
 O
CB
O
 O3'
OP1
OP2
1m18 2 P02302 91.11 3e-84 X-RAY
 2003-02-18 ALA C:111 A:511 0.0 0.0 H -67.4 -41.8 0.0 0.0 0.0 DC
DG
DG
HOH
 8.968
6.598
8.116
4.981
 O
CB
O
O
 O3'
OP1
OP2
O
ALA G:111 E:711 0.0 0.0 H -69.8 -48.8 0.0 0.0 0.0 DG
DG
DA
HOH
 8.883
6.411
8.481
5.028
 CB
CB
O
O
 O3'
OP1
OP2
O
1m19 2 P02302 91.11 3e-84 X-RAY
 2003-02-18 ALA C:111 A:511 0.0 0.0 H -64.2 -50.1 0.0 0.0 0.0 DC
DG
DG
HOH
 8.969
6.565
8.318
5.140
 CB
CB
O
O
 O3'
OP1
OP2
O
ALA G:111 E:711 0.0 0.0 H -62.6 -47.8 0.0 0.0 0.0 DG
DG
DA
HOH
 8.985
6.594
8.223
5.211
 CB
CB
O
O
 O3'
OP1
OP2
O
1m1a 2 P02302 91.11 3e-84 X-RAY
 2003-02-18 ALA C:111 A:511 0.0 0.0 H -68.4 -48.6 0.0 0.0 0.0 DG
DG
DA
HOH
 9.166
6.720
8.609
6.174
 O
CB
O
C
 O3'
OP1
OP2
O
ALA G:111 E:711 0.0 0.0 H -67.3 -49.5 0.0 0.0 0.0 DC
DG
DG
HOH
 9.248
6.755
8.621
6.489
 CB
CB
O
O
 O3'
OP1
OP2
O
4h9s 1 P84243 90.37 6e-84 X-RAY
 2012-10-17 THR A:111 A:111 22.0 0.157 -100.9 105.7 12.0 0.086 0.071 F:Q9UER7:0.071
 HOH
 4.977
 O
 O
THR B:111 B:111 27.0 0.193 -100.1 104.5 NA NA NA
1p3k 2 Q7ZT64 91.11 1e-83 X-RAY
 2004-02-24 ALA C:111 A:511 0.0 0.0 H -66.2 -48.6 0.0 0.0 0.0 DC
DG
DG
HOH
 9.173
6.706
8.592
6.182
 CB
CB
O
N
 O3'
OP1
OP2
O
ALA G:111 E:711 0.0 0.0 H -65.4 -48.3 0.0 0.0 0.0 DG
DG
DA
HOH
 9.020
6.662
8.554
5.842
 O
CB
O
CB
 O3'
OP1
OP2
O
1p3a 2 Q7ZT64 91.11 1e-83 X-RAY
 2004-02-24 ALA C:111 A:511 0.0 0.0 H -73.3 -51.3 0.0 0.0 0.0 DC
DG
DG
HOH
 9.170
6.901
8.574
5.725
 O
CB
O
O
 O3'
OP1
OP2
O
ALA G:111 E:711 0.0 0.0 H -60.2 -46.0 0.0 0.0 0.0 DG
DG
DA
HOH
 9.099
6.928
8.799
5.700
 O
CB
O
N
 O3'
OP1
OP2
O
1p3m 2 Q7ZT64 91.11 1e-83 X-RAY
 2004-02-24 ALA C:111 A:511 0.0 0.0 H -64.5 -43.2 0.0 0.0 0.0 DC
DG
DG
HOH
 9.039
6.541
8.265
6.241
 O
O
O
N
 O3'
OP1
OP2
O
ALA G:111 E:711 0.0 0.0 H -63.9 -53.8 0.0 0.0 0.0 DG
DG
DA
HOH
 9.341
6.898
8.885
6.105
 CB
CB
O
CB
 O3'
OP1
OP2
O
1p34 2 Q7ZT64 91.11 2e-83 X-RAY
 2004-02-24 ALA C:111 A:511 0.0 0.0 H -67.7 -48.6 0.0 0.0 0.0 DC
DG
DG
HOH
 9.126
7.045
7.915
5.215
 O
CB
O
O
 O3'
OP1
OP2
O
ALA G:111 E:711 0.0 0.0 H -66.8 -47.5 0.0 0.0 0.0 DG
DG
DA
HOH
 8.983
6.849
7.944
3.644
 O
CB
O
CB
 O3'
OP1
OP2
O
5ong 3 P84233 91.85 2e-83 X-RAY
 2017-11-22 ALA C:111 A:111 0.0 0.0 H -62.3 -38.6 0.0 0.0 0.0 DT
DG
DG
CL
HOH
 9.007
6.623
8.335
9.871
6.369
 O
O
O
CB
C
 O3'
OP1
OP2
CL
O
ALA G:111 E:111 0.0 0.0 H -63.9 -46.7 0.0 0.0 0.0 DT
DG
DG
CL
HOH
 9.038
6.596
8.488
9.959
9.744
 O
O
O
CB
C
 O3'
OP1
OP2
CL
O
5onw 3 P84233 91.85 2e-83 X-RAY
 2017-11-22 ALA C:111 A:111 0.0 0.0 H -62.7 -48.7 0.0 0.0 0.0 DT
DG
DG
CL
HOH
 9.190
6.754
8.662
9.927
9.870
 O
O
O
CB
CB
 O3'
OP1
OP2
CL
O
ALA G:111 E:111 0.0 0.0 H -54.6 -47.8 0.0 0.0 0.0 DT
DG
DG
CL
HOH
 9.126
6.706
8.629
9.887
8.887
 O
O
O
CB
CB
 O3'
OP1
OP2
CL
O
1p3l 2 Q7ZT64 91.11 2e-83 X-RAY
 2004-02-24 ALA C:111 A:511 0.0 0.0 H -61.2 -49.5 0.0 0.0 0.0 DC
DG
DG
HOH
 9.157
6.766
8.258
5.954
 O
CB
O
CB
 O3'
OP1
OP1
O
ALA G:111 E:711 0.0 0.0 H -64.1 -48.4 0.0 0.0 0.0 DG
DG
DA
HOH
 9.199
6.794
8.219
5.369
 CB
CB
O
O
 O3'
OP1
OP1
O
4kud 1 P61830 86.03 2e-81 X-RAY
 2013-08-07 ALA A:112 A:111 0.0 0.0 H -59.4 -44.1 0.0 0.0 0.0 DC
DG
DG
 9.168
6.773
8.557
 O
O
O
 O3'
OP1
OP2
ALA E:112 E:111 0.0 0.0 H -77.4 -48.9 0.0 0.0 0.0 DG
DG
DA
 9.270
6.882
8.630
 O
O
O
 O3'
OP1
OP2
5zba 3 P61830 86.03 2e-81 X-RAY
 2018-07-25 ALA C:112 C:111 0.0 0.0 H -73.1 -27.6 0.0 0.0 0.0 IOD
IOD
 7.344
9.768
 O
CB
 I
I
5zbb 3 P61830 86.03 2e-81 X-RAY
 2018-07-25 ALA C:112 C:111 0.0 0.0 H -69.9 -30.0 0.0 0.0 0.0 IOD
 7.462
 O
 I
7k7g 1 P61830 86.03 2e-81 EM
 2021-03-31 ALA A:112 A:112 2.0 0.017 H -74.0 -29.1 2.0 0.017 0.0 DC
DG
DC
 9.529
7.400
9.298
 O
O
O
 O3'
OP2
OP2
ALA E:112 E:112 2.0 0.017 H -74.1 -29.1 2.0 0.017 0.0 DG
DA
DC
 9.315
6.944
8.904
 O
O
O
 O3'
OP1
OP2
6gej 2 P61830 85.29 1e-80 EM
 2018-10-17 ALA B:112 A:111 1.0 0.009 H -70.4 -30.8 1.0 0.009 0.0 DC
DG
DC
 9.845
7.533
9.397
 O
O
O
 O3'
OP1
OP2
ALA C:112 B:111 1.0 0.009 H -70.3 -30.8 1.0 0.009 0.0 DG
DA
DC
 9.656
7.259
8.517
 O
O
O
 O3'
OP1
OP2
6gen 2 P61830 85.29 1e-80 EM
 2018-10-17 ALA B:112 A:111 2.0 0.017 H -72.7 -26.7 2.0 0.017 0.0 DC
DG
DC
 9.851
7.457
9.778
 O
O
O
 O3'
OP1
OP2
ALA C:112 B:111 1.0 0.009 H -72.7 -26.7 1.0 0.009 0.0 DG
DA
DC
 9.628
7.221
8.839
 O
O
O
 O3'
OP1
OP2
4jjn 1 P61830 85.93 3e-80 X-RAY
 2013-05-15 ALA A:111 A:111 0.0 0.0 H -73.3 -44.6 0.0 0.0 0.0 DG
DA
DC
 8.923
6.514
8.188
 O
O
O
 O3'
OP1
OP2
ALA E:111 E:111 0.0 0.0 H -71.6 -47.2 0.0 0.0 0.0 DC
DG
DC
 9.035
6.645
8.363
 O
O
O
 O3'
OP1
OP2
1id3 2 P61830 85.19 1e-79 X-RAY
 2001-09-28 ALA C:111 A:111 0.0 0.0 H -64.8 -42.2 0.0 0.0 0.0 DC
DG
DG
HOH
 9.071
6.673
8.635
9.220
 O
CB
O
O
 O3'
OP1
OP2
O
ALA G:111 E:111 0.0 0.0 H -77.9 -66.7 0.0 0.0 0.0 DG
DG
DA
HOH
 9.162
6.712
8.964
6.784
 CB
CB
O
O
 O3'
OP1
OP2
O
7dbh 1 ? 88.55 3e-77 EM
 2022-01-19 ALA A:115 A:111 0.0 0.0 H -61.3 -47.6 0.0 0.0 0.0 DC
DG
DC
 9.016
6.622
8.779
 O
O
O
 O3'
OP1
OP2
ALA E:115 E:111 0.0 0.0 H -60.7 -47.1 0.0 0.0 0.0 DG
DA
DC
 9.423
6.965
8.806
 O
O
O
 O3'
OP1
OP2
7vbm 1 ? 88.55 3e-77 EM
 2022-01-19 ALA A:115 A:111 0.0 0.0 H -61.8 -45.6 0.0 0.0 0.0 DC
DG
DC
 9.750
7.499
8.716
 O
O
O
 O3'
OP2
OP2
ALA E:115 E:111 0.0 0.0 H -62.6 -43.6 0.0 0.0 0.0 DG
DA
DC
 9.120
6.688
9.058
 O
O
O
 O3'
OP1
OP2
4h9p 1 P84243 91.11 5e-76 X-RAY
 2012-10-17 THR A:111 A:111 42.0 0.3 -110.6 104.9 33.0 0.236 0.064 C:Q9UER7:0.064
 PO4
HOH
 7.739
2.538
 C
OG1
 O3
O
4h9r 1 P84243 91.11 5e-76 X-RAY
 2012-10-17 THR A:111 A:111 38.0 0.271 -111.3 107.6 28.0 0.2 0.071 C:Q9UER7:0.071
 PO4
HOH
 8.452
2.712
 C
O
 O1
O
5zbx 1 P68431,P49450 81.88 6e-74 X-RAY
 2019-02-13 THR A:117 A:113 0.0 0.0 H -54.7 -52.0 0.0 0.0 0.0 DC
DT
DG
 8.249
5.719
8.552
 CG2
CG2
O
 O3'
OP1
OP2
THR E:117 E:113 0.0 0.0 H -55.3 -49.7 0.0 0.0 0.0 DT
DG
DA
 7.974
5.600
8.980
 CG2
CG2
O
 O3'
OP1
OP2
1aoi 2 P02302 92.24 2e-72 X-RAY
 1998-09-30 ALA C:92 A:111 0.0 0.0 H -55.9 -46.5 0.0 0.0 0.0 DC
DT
DG
 9.202
6.806
8.672
 O
O
O
 O3'
OP1
OP2
ALA G:92 E:111 0.0 0.0 H -51.8 -49.1 0.0 0.0 0.0 DT
DG
DA
 9.271
6.731
8.709
 O
CB
O
 O3'
OP1
OP2
5z23 1 P68431,P49450 80.43 1e-71 X-RAY
 2019-02-13 THR A:117 A:113 0.0 0.0 H -56.2 -52.9 0.0 0.0 0.0 DC
DT
DG
 8.222
5.714
8.731
 CG2
CG2
O
 O3'
OP1
OP2
THR E:117 E:113 0.0 0.0 H -55.6 -53.7 0.0 0.0 0.0 DT
DG
DA
 7.997
5.558
9.044
 CG2
CG2
O
 O3'
OP1
OP2
5bs7 1 P84233 92.79 6e-70 X-RAY
 2015-07-08 ALA A:87 A:111 0.0 NA H -42.6 -51.9 0.0 NA NA SO4
 9.551
 C
 O4
ALA B:87 B:111 1.0 NA H -61.6 -43.4 1.0 NA NA
5bsa 1 P84233 92.73 3e-69 X-RAY
 2015-07-08 ALA A:86 A:111 0.0 0.0 H -37.8 -42.0 0.0 0.0 0.0
ALA B:86 B:111 0.0 0.0 H -41.6 -43.6 0.0 0.0 0.0
3w98 1 P68431 91.67 8e-67 X-RAY
 2013-08-28 ALA A:88 A:111 0.0 0.0 H -72.2 -43.4 0.0 0.0 0.0 DC
DT
DG
 8.856
6.424
8.625
 O
O
O
 O3'
OP1
OP2
ALA E:88 E:111 0.0 0.0 H -68.4 -49.4 0.0 0.0 0.0 DT
DG
DA
 9.085
6.759
8.688
 O
O
O
 O3'
OP1
OP2
7ea8 2 ? 95.92 6e-66 EM
 2021-07-14 ALA B:79 A:111 0.0 0.0 H -70.0 -31.6 0.0 0.0 0.0 DC
DG
DC
 9.769
7.603
9.229
 O
O
O
 O3'
OP1
OP2
ALA F:79 E:111 0.0 0.0 H -68.6 -35.7 0.0 0.0 0.0 DG
DA
DC
 9.398
7.161
9.193
 O
O
O
 O3'
OP1
OP2
6r1t 1 A0A310TTQ1 94.95 4e-65 EM
 2019-04-24 ALA A:75 A:111 0.0 0.0 H -72.9 -29.3 0.0 0.0 0.0 DG
DA
DC
 8.656
6.309
8.474
 O
O
O
 O3'
OP1
OP2
ALA E:75 E:111 0.0 0.0 H -72.4 -32.5 0.0 0.0 0.0 DC
DG
DC
 8.554
6.415
8.575
 O
O
O
 O3'
OP1
OP2
7ktq 1 A0A310TTQ1 94.95 4e-65 EM
 2021-02-03 ALA A:75 A:111 0.0 0.0 H -62.6 -52.3 0.0 0.0 0.0 DC
DG
DC
 9.515
7.195
8.987
 O
CB
O
 O3'
OP1
OP2
ALA E:75 E:111 0.0 0.0 H -62.3 -52.5 0.0 0.0 0.0 DG
DA
DC
 9.204
6.899
8.869
 O
CB
O
 O3'
OP1
OP2
5wcu 1 P02299 95.92 4e-65 X-RAY
 2018-10-31 ALA A:74 A:111 0.0 0.0 H -66.2 -40.5 0.0 0.0 0.0 DC
DG
DC
 9.859
7.465
9.162
 O
CB
CB
 O3'
OP1
OP2
ALA E:74 E:111 0.0 0.0 H -66.0 -40.3 0.0 0.0 0.0 DG
DA
DC
 8.060
5.824
7.885
 O
O
O
 O3'
OP1
OP2
ALA K:74 K:111 0.0 0.0 H -66.1 -40.4 NA NA NA
ALA O:74 O:111 0.0 0.0 H -66.0 -40.4 NA NA NA
6jm9 3 P84233 95.92 4e-65 EM
 2019-05-15 ALA C:74 A:111 0.0 0.0 H -65.2 -44.6 0.0 0.0 0.0 DC
DT
DG
 8.916
6.519
8.158
 O
O
O
 O3'
OP1
OP2
ALA G:74 E:111 0.0 0.0 H -66.2 -47.5 0.0 0.0 0.0 DT
DG
DA
 9.001
6.596
8.637
 CB
CB
O
 O3'
OP1
OP2
6jma 2 P84233 95.92 4e-65 EM
 2019-05-15 ALA C:74 A:111 0.0 0.0 H -65.2 -44.6 0.0 0.0 0.0 DC
DT
DG
 8.917
6.519
8.158
 O
O
O
 O3'
OP1
OP2
ALA G:74 E:111 0.0 0.0 H -66.1 -47.5 0.0 0.0 0.0 DT
DG
DA
 9.000
6.596
8.638
 CB
CB
O
 O3'
OP1
OP2
4z2m 2 P68431 94.95 8e-65 X-RAY
 2016-03-09 ALA B:78 G:111 0.0 0.0 H -56.3 -35.5 0.0 0.0 0.0
ALA D:78 I:111 1.0 0.009 H -54.2 -50.0 0.0 0.0 0.009 A:Q9Y5B9:0.009
7ea5 1 A0A310TTQ1 93.94 2e-64 EM
 2021-07-14 ALA A:78 A:111 0.0 0.0 H -69.4 -32.8 0.0 0.0 0.0 DC
DG
DC
 9.690
7.649
8.946
 O
O
O
 O3'
OP1
OP2
ALA E:78 E:111 0.0 0.0 H -67.9 -34.5 0.0 0.0 0.0 DG
DA
DC
 9.076
6.734
9.102
 O
O
O
 O3'
OP1
OP2
6fq5 1 ? 94.9 2e-64 EM
 2018-04-18 ALA A:75 A:111 0.0 0.0 H -57.4 -49.7 0.0 0.0 0.0 DG
DA
DC
 8.913
6.520
8.380
 O
O
O
 O3'
OP1
OP2
ALA E:75 E:111 0.0 0.0 H -60.4 -54.6 0.0 0.0 0.0 DC
DG
DC
 8.939
6.577
8.597
 O
O
O
 O3'
OP1
OP2
6fq6 1 ? 94.9 2e-64 EM
 2018-04-18 ALA A:75 A:111 0.0 0.0 H -61.1 -50.8 0.0 0.0 0.0 DG
DA
DC
 8.814
6.356
8.058
 CB
CB
O
 O3'
OP1
OP2
ALA E:75 E:111 0.0 0.0 H -63.1 -54.6 0.0 0.0 0.0 DC
DG
DC
 8.734
6.361
8.363
 CB
CB
O
 O3'
OP1
OP2
6fq8 1 P02302 94.9 2e-64 EM
 2018-04-18 ALA A:75 A:111 0.0 0.0 H -61.5 -49.2 0.0 0.0 0.0 DG
DA
DC
 8.685
6.209
8.615
 CB
CB
O
 O3'
OP1
OP2
ALA E:75 E:111 0.0 0.0 H -63.1 -53.4 0.0 0.0 0.0 DC
DG
DC
 9.343
6.923
8.669
 CB
O
O
 O3'
OP1
OP2
6yn1 3 A0A310TTQ1 94.9 2e-64 X-RAY
 2021-11-17 ALA C:75 C:111 0.0 0.0 H -62.4 -48.0 0.0 0.0 0.0 HOH
 5.860
 CB
 O
ALA H:75 H:111 0.0 0.0 H -70.9 -40.1 0.0 0.0 0.0 GOL
HOH
 9.217
6.234
 N
CB
 O1
O
ALA M:75 M:111 0.0 0.0 H -69.7 -45.7 NA NA NA
ALA R:75 R:111 0.0 0.0 H -60.2 -41.5 NA NA NA
ALA W:75 W:111 0.0 0.0 H -66.3 -43.9 NA NA NA
ALA BA:75 b:111 0.0 0.0 H -71.0 -42.6 NA NA NA
ALA GA:75 g:111 0.0 0.0 H -64.2 -40.8 NA NA NA
ALA LA:75 l:111 0.0 0.0 H -64.4 -46.7 NA NA NA
4xzq 1 P84233 94.9 2e-64 X-RAY
 2015-10-14 ALA A:74 A:511 0.0 0.0 H -65.7 -49.8 0.0 0.0 0.0 DT
DG
DG
HOH
 9.085
6.743
8.274
5.934
 O
O
O
CB
 O3'
OP1
OP2
O
ALA E:74 E:711 0.0 0.0 H -61.3 -51.0 0.0 0.0 0.0 DT
DG
DG
HOH
 9.112
6.653
8.503
5.119
 CB
CB
O
O
 O3'
OP1
OP2
O
4ys3 1 P84233 94.9 2e-64 X-RAY
 2015-10-14 ALA A:74 A:511 0.0 0.0 H -58.7 -53.8 0.0 0.0 0.0 DT
DG
DG
HOH
 9.489
7.102
8.572
6.170
 O
CB
O
CB
 O3'
OP1
OP2
O
ALA E:74 E:711 0.0 0.0 H -62.5 -53.3 0.0 0.0 0.0 DT
DG
DG
HOH
 9.280
6.741
8.744
5.904
 CB
CB
O
CB
 O3'
OP1
OP2
O
4z66 1 P84233 94.9 2e-64 X-RAY
 2015-10-14 ALA A:74 A:511 0.0 0.0 H -69.5 -45.8 0.0 0.0 0.0 DT
DG
DG
HOH
 9.001
6.622
8.457
4.969
 O
O
O
O
 O3'
OP1
OP2
O
ALA E:74 E:711 0.0 0.0 H -64.4 -51.1 0.0 0.0 0.0 DT
DG
DG
HOH
 9.106
6.656
8.653
4.949
 O
CB
O
O
 O3'
OP1
OP2
O
7k6p 1 P84233 94.9 3e-64 EM
 2021-02-10 ALA A:75 A:111 0.0 0.0 H -64.9 -43.4 0.0 0.0 0.0 DC
DG
DG
 8.942
6.781
8.339
 O
O
O
 O3'
OP2
OP2
ALA E:75 E:111 0.0 0.0 H -63.8 -41.5 0.0 0.0 0.0 DG
DA
DG
 8.669
6.412
8.299
 O
O
O
 O3'
OP1
OP2
7k6q 1 P84233 94.9 3e-64 EM
 2021-02-10 ALA A:75 A:111 0.0 0.0 H -66.2 -41.5 0.0 0.0 0.0 DC
DG
DG
 9.124
7.121
8.501
 O
O
O
 O3'
OP2
OP2
ALA E:75 E:111 0.0 0.0 H -64.6 -41.7 0.0 0.0 0.0 DG
DA
DG
 8.615
6.304
8.339
 O
O
O
 O3'
OP1
OP2
6ipu 1 P68431 94.9 5e-64 X-RAY
 2020-01-15 ALA A:74 A:111 0.0 0.0 H -61.1 -48.9 0.0 0.0 0.0 DC
DT
DG
HOH
 8.945
6.627
8.160
5.167
 O
O
O
O
 O3'
OP1
OP2
O
ALA E:74 E:111 0.0 0.0 H -61.4 -50.0 0.0 0.0 0.0 DC
DT
DG
HOH
 9.008
6.594
8.266
5.986
 O
CB
O
CB
 O3'
OP1
OP2
O
6iq4 1 P68431 94.9 5e-64 X-RAY
 2019-10-30 ALA A:74 A:111 0.0 0.0 H -57.7 -51.6 0.0 0.0 0.0 DC
DT
DG
AU
XIS
HOH
 9.038
6.616
8.255
7.763
7.430
5.976
 CB
CB
O
C
O
CB
 O3'
OP1
OP2
AU
C11
O
ALA E:74 E:111 0.0 0.0 H -61.2 -52.1 0.0 0.0 0.0 DC
DT
DG
AU
HOH
 8.966
6.558
8.477
8.520
5.963
 CB
CB
O
N
CB
 O3'
OP1
OP2
AU
O
6jxd 1 P68431 94.9 5e-64 X-RAY
 2020-01-15 ALA A:74 A:111 0.0 0.0 H -47.9 -60.8 0.0 0.0 0.0 DC
DG
DC
HOH
 9.393
6.880
9.687
6.074
 CB
CB
O
CB
 O3'
OP1
OP2
O
7ccq 1 P68431 94.9 5e-64 EM
 2020-10-07 ALA A:74 A:111 0.0 0.0 H -71.9 -32.4 0.0 0.0 0.0 DG
DA
DC
 8.594
6.353
8.760
 O
O
O
 O3'
OP1
OP2
ALA E:74 E:111 0.0 0.0 H -74.0 -35.2 0.0 0.0 0.0 DC
DG
DC
 8.360
6.046
8.509
 O
O
O
 O3'
OP1
OP2
7ccr 1 P68431 94.9 5e-64 EM
 2020-10-07 ALA A:74 A:111 0.0 0.0 H -71.0 -33.0 0.0 0.0 0.0 DG
DA
DC
 8.671
6.442
9.554
 O
O
O
 O3'
OP1
OP2
ALA E:74 E:111 0.0 0.0 H -74.0 -36.1 0.0 0.0 0.0 DC
DG
DC
 8.569
6.207
8.864
 O
O
O
 O3'
OP1
OP2
ALA L:74 L:111 0.0 0.0 H -71.0 -33.0 0.0 0.0 0.0 DG
DA
DC
 8.670
6.442
9.554
 O
O
O
 O3'
OP1
OP2
ALA P:74 P:111 0.0 0.0 H -74.0 -36.1 0.0 0.0 0.0 DC
DG
DC
 8.569
6.208
8.865
 O
O
O
 O3'
OP1
OP2
6iy2 1 A0A310TTQ1 93.94 6e-64 EM
 2019-04-03 ALA A:76 A:111 0.0 0.0 H -68.9 -39.2 0.0 0.0 0.0 DC
DT
DT
 9.249
6.921
8.794
 O
O
O
 O3'
OP1
OP2
ALA E:76 E:111 0.0 0.0 H -71.0 -35.4 0.0 0.0 0.0 DA
DA
DG
 9.246
7.197
8.851
 O
O
O
 O3'
OP2
OP2
6iy3 1 A0A310TTQ1 93.94 6e-64 EM
 2019-04-03 ALA A:76 A:111 0.0 0.0 H -84.3 -5.5 0.0 0.0 0.0 DC
DT
DT
 8.534
6.228
9.243
 O
O
O
 O3'
OP1
OP2
ALA E:76 E:111 0.0 0.0 H -75.8 -26.6 0.0 0.0 0.0 DA
DA
DG
 8.591
6.162
8.981
 O
O
O
 O3'
OP1
OP2
6y5d 1 Q71DI3 94.9 7e-64 EM
 2020-09-23 ALA A:74 A:112 0.0 0.0 H -64.2 -38.6 0.0 0.0 0.0 DC
DG
DC
 8.745
6.324
8.380
 O
O
O
 O3'
OP1
OP2
ALA E:74 E:112 0.0 0.0 H -64.0 -38.5 0.0 0.0 0.0 DG
DA
DC
 9.001
6.664
8.775
 O
CB
O
 O3'
OP1
OP2
ALA M:74 M:112 0.0 0.0 H -64.3 -38.6 0.0 0.0 0.0 DC
DG
DC
 8.875
6.437
7.676
 O
O
O
 O3'
OP1
OP2
ALA Q:74 Q:112 0.0 0.0 H -64.3 -38.7 0.0 0.0 0.0 DG
DA
DC
 8.683
6.198
8.621
 CB
CB
O
 O3'
OP1
OP2
6ftx 1 S4RAZ3 94.85 1e-63 EM
 2018-08-08 ALA A:74 A:111 0.0 0.0 H -59.9 -42.9 0.0 0.0 0.0 DC
DG
DC
 8.821
6.521
8.721
 O
O
O
 O3'
OP1
OP2
6z6p 5 A0A310TTQ1 94.85 1e-63 EM
 2021-02-17 ALA E:74 A:111 2.0 0.017 H -73.6 -27.5 1.0 0.009 0.008 K:P06897:0.009
 DC
DG
 8.588
6.361
 O
O
 O3'
OP1
3kwq 1 P84233 93.88 1e-63 X-RAY
 2010-05-12 ALA A:74 A:111 0.0 0.0 H -68.5 -52.9 0.0 0.0 0.0 DC
DG
DG
 9.158
6.732
8.496
 CB
CB
O
 O3'
OP1
OP2
ALA E:74 E:111 0.0 0.0 H -86.0 -45.9 0.0 0.0 0.0 DG
DG
DA
 9.260
6.787
8.399
 CB
CB
O
 O3'
OP1
OP2
6jxd 5 P68431 94.85 2e-63 X-RAY
 2020-01-15 ALA E:74 E:111 0.0 0.0 H -57.3 -54.8 0.0 0.0 0.0 DG
DA
DC
HOH
 8.971
6.542
8.551
5.775
 CB
CB
O
CB
 O3'
OP1
OP2
O
5mlu 1 P84233 94.85 3e-63 X-RAY
 2017-05-10 ALA A:73 A:111 0.0 0.0 H -66.8 -43.1 0.0 0.0 0.0 DG
DA
DC
HOH
 8.478
6.099
8.167
5.654
 O
O
O
CB
 O3'
OP1
OP2
O
ALA E:73 E:111 0.0 0.0 H -66.1 -44.2 0.0 0.0 0.0 DC
DG
DC
HOH
 8.802
6.376
8.356
6.725
 CB
CB
O
O
 O3'
OP1
OP2
O
6z6p 9 P84233 94.85 3e-63 EM
 2021-02-17 ALA I:73 E:111 2.0 0.017 H -72.5 -31.4 1.0 0.009 0.008 G:Q6AZJ8:0.009
 DG
DA
 9.786
7.887
 CB
CB
 O3'
OP1
6ftx 5 P02302 94.85 4e-63 EM
 2018-08-08 ALA E:86 E:111 0.0 0.0 H -61.3 -43.0 0.0 0.0 0.0 DG
DA
DC
 8.655
6.480
8.584
 O
O
O
 O3'
OP1
OP2
6y5e 1 Q71DI3 94.79 1e-62 EM
 2020-09-23 ALA A:74 A:112 0.0 0.0 H -63.8 -38.8 0.0 0.0 0.0 DC
DG
DC
PTD
 9.009
6.629
8.700
8.219
 O
O
O
O
 O3'
OP1
OP2
C4
ALA E:74 E:112 0.0 0.0 H -64.3 -38.4 0.0 0.0 0.0 DG
DA
DC
PTD
PTD
 8.957
6.586
8.553
9.666
7.968
 O
O
O
CA
O
 O3'
OP1
OP2
C5
C5
6ke9 1 P68431 94.79 9e-62 X-RAY
 2020-04-22 ALA A:72 A:111 0.0 0.0 H -61.5 -44.9 0.0 0.0 0.0 DG
DT
DT
 9.352
6.950
8.319
 O
CB
O
 O3'
OP1
OP2
ALA E:72 E:111 0.0 0.0 H -58.7 -52.7 0.0 0.0 0.0 DA
DA
DC
 9.270
6.963
8.638
 O
CB
O
 O3'
OP1
OP2
6l9h 1 P68431 94.79 9e-62 X-RAY
 2020-04-22 ALA A:72 A:111 0.0 0.0 H -66.9 -48.0 0.0 0.0 0.0 DG
DT
DT
 8.724
6.350
8.364
 CB
CB
O
 O3'
OP1
OP2
ALA E:72 E:111 0.0 0.0 H -65.4 -47.7 0.0 0.0 0.0 DA
DA
DC
 8.757
6.414
8.607
 O
CB
O
 O3'
OP1
OP2
6le9 1 P68431 94.79 9e-62 X-RAY
 2020-04-22 ALA A:72 A:111 0.0 0.0 H -66.3 -47.3 0.0 0.0 0.0 DA
DA
DC
 8.822
6.391
8.334
 CB
CB
O
 O3'
OP1
OP2
ALA E:72 E:111 0.0 0.0 H -66.5 -46.5 0.0 0.0 0.0 DG
DT
DT
 8.834
6.441
8.490
 O
CB
O
 O3'
OP1
OP2
4x23 3 P02299 95.7 2e-60 X-RAY
 2014-12-10 ALA C:72 A:111 0.0 0.0 H -65.5 -50.7 0.0 0.0 0.0 DC
DG
DC
 8.774
6.396
8.317
 O
O
O
 O3'
OP1
OP2
ALA G:72 E:111 0.0 0.0 H -65.7 -51.0 0.0 0.0 0.0 DG
DA
DC
 8.946
6.583
8.721
 O
O
O
 O3'
OP1
OP2
ALA O:72 K:111 0.0 0.0 H -65.4 -51.0 NA NA NA
ALA S:72 O:111 0.0 0.0 H -65.9 -51.3 NA NA NA
5bnv 1 P84243 96.2 9e-51 X-RAY
 2015-06-17 ALA A:55 A:111 0.0 0.0 H -61.6 -47.6 0.0 0.0 0.0 HOH
 5.870
 CB
 O
ALA C:55 D:111 0.0 0.0 H -51.1 -48.5 0.0 0.0 0.0 HOH
 6.318
 C
 O
5bnx 1 P84243 96.2 9e-51 X-RAY
 2015-06-17 ALA A:55 A:111 2.0 0.017 H -68.4 -39.1 2.0 0.017 0.0 HOH
 5.225
 CB
 O
5ja4 1 P84243 96.2 9e-51 X-RAY
 2016-06-15 ALA A:55 A:111 0.0 0.0 H -64.3 -47.0 0.0 0.0 0.0 HOH
 5.964
 CB
 O
7ciz 1 P84243 96.2 9e-51 X-RAY
 2021-04-14 ALA A:55 A:111 0.0 0.0 H -57.9 -45.4 0.0 0.0 0.0 HOH
 4.439
 N
 O
ALA D:55 E:111 0.0 0.0 H -58.4 -46.5 NA NA NA
ALA G:55 I:111 0.0 0.0 H -65.1 -42.7 NA NA NA
7cj0 1 P84243 96.2 9e-51 X-RAY
 2021-04-14 ALA A:55 E:111 0.0 0.0 H -73.6 -43.1 0.0 0.0 0.0 HOH
 5.974
 O
 O
ALA E:55 B:111 0.0 0.0 H -67.3 -45.4 NA NA NA
5bo0 1 Q71DI3 95.0 3e-50 X-RAY
 2015-06-17 ALA A:56 A:111 0.0 0.0 H -78.9 -26.8 0.0 0.0 0.0
4zbj 2 Q10453 94.67 4e-47 X-RAY
 2015-07-15 ALA B:53 B:111 1.0 0.009 H -58.3 -40.8 1.0 0.009 0.0 CL
HOH
 6.841
5.066
 O
O
 CL
O
2hue 2 Q92133 93.33 7e-46 X-RAY
 2006-11-21 ALA B:53 B:111 0.0 0.0 H -60.9 -44.3 0.0 0.0 0.0 GOL
SO4
HOH
 6.763
6.321
3.529
 O
O
CB
 O2
O4
O
4eo5 2 P84233 93.33 8e-46 X-RAY
 2012-06-13 ALA B:52 B:111 0.0 0.0 H -57.6 -49.3 0.0 0.0 0.0 HOH
 4.796
 O
 O

AlphaFold DB

Entity Residue Monomer View
ID Entity Uniprot Identity Evalue Name Label Auth ASA rASA SS φ ψ
af-q6nxt2-f1 1 Q6NXT2 100.0 1e-96 ALA A:111 A:111 0.0 0.0 H -65.1 -45.0
af-p84243-f1 1 P84243 95.59 2e-90 ALA A:112 A:112 0.0 0.0 H -65.1 -44.8
af-q71di3-f1 1 Q71DI3 94.12 1e-88 ALA A:112 A:112 0.0 0.0 H -64.6 -44.8
af-p68431-f1 1 P68431 93.38 2e-87 ALA A:112 A:112 0.0 0.0 H -64.9 -44.9
af-q5tec6-f1 1 Q5TEC6 91.18 1e-85 ALA A:112 A:112 0.0 0.0 H -64.1 -44.8
af-q16695-f1 1 Q16695 90.44 3e-85 VAL A:112 A:112 0.0 0.0 H -65.6 -46.5