Variant

Genome Chromosome Position VCF ID Ref Alt mRNA Change mRNA Info
GRCh37 chr16 227346 . T A CCDS10399.1:NM_000558.3:c.365gTg>gAg_NP_000549.1:p.122V>E Homo sapiens hemoglobin, alpha 1 (HBA1), 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)
1bz1 1 P69905 100.0 4e-101 X-RAY
1998-11-11 VAL A:122 A:122 17.0 0.11 H -68.7 -43.8 17.0 0.11 0.0 HOH
3.536
CG2
O
VAL C:122 C:122 15.0 0.097 H -69.3 -38.1 15.0 0.097 0.0 HOH
4.064
CG2
O
1y01 2 P69905 100.0 4e-101 X-RAY
2004-12-21 VAL B:122 B:121 19.0 0.123 H -49.9 -35.5 19.0 0.123 0.0 HOH
6.444
CG2
O
1z8u 2 P69905 100.0 4e-101 X-RAY
2005-06-14 VAL B:122 B:121 7.0 0.045 H -69.0 -32.5 7.0 0.045 0.0 HOH
3.621
CG2
O
VAL D:122 D:121 7.0 0.045 H -61.2 -46.2 NA NA NA
6kye 1 P69905 100.0 4e-101 X-RAY
2020-01-01 VAL A:122 A:121 15.0 0.097 H -68.2 -44.0 15.0 0.097 0.0
VAL C:122 C:121 14.0 0.09 H -76.3 -46.2 14.0 0.09 0.0 HOH
4.002
CG2
O
VAL E:122 E:121 7.0 0.045 H -84.4 -35.2 NA NA NA
VAL G:122 G:121 14.0 0.09 H -64.9 -46.8 NA NA NA
VAL I:122 I:121 17.0 0.11 H -80.1 -46.1 NA NA NA
VAL K:122 K:121 17.0 0.11 H -66.4 -47.8 NA NA NA
7cue 1 P69905 100.0 4e-101 X-RAY
2021-07-07 VAL A:122 A:121 14.0 0.09 H -78.4 -29.5 14.0 0.09 0.0 HOH
9.003
O
O
VAL C:122 C:121 13.0 0.084 H -77.5 -29.1 13.0 0.084 0.0
7k4m 1 P69905 100.0 4e-101 X-RAY
2021-10-13 VAL A:122 A:121 14.0 0.09 H -71.1 -43.7 14.0 0.09 0.0 HOH
3.422
CG2
O
VAL C:122 C:121 9.0 0.058 H -73.1 -35.5 9.0 0.058 0.0 HOH
8.758
N
O
VAL E:122 E:121 8.0 0.052 H -73.3 -34.0 NA NA NA
VAL G:122 G:121 14.0 0.09 H -64.3 -57.7 NA NA NA
VAL I:122 I:121 8.0 0.052 H -77.8 -23.7 NA NA NA
7vde 1 P69905 100.0 4e-101 EM
2021-12-29 VAL A:122 A:121 17.0 0.11 H -66.3 -36.5 17.0 0.11 0.0
VAL C:122 C:121 17.0 0.11 H -66.2 -36.6 17.0 0.11 0.0
3ia3 2 P69905 100.0 5e-101 X-RAY
2009-07-28 VAL B:125 B:121 8.0 0.052 H -54.2 -39.3 NA NA NA
VAL D:125 D:121 9.0 0.058 H -55.4 -37.5 9.0 0.058 0.0
1bab 1 P69905 99.3 3e-100 X-RAY
1994-01-31 VAL A:123 A:122 16.0 0.103 H -67.6 -45.3 16.0 0.103 0.0 HOH
3.696
CG2
O
VAL C:123 C:122 15.0 0.097 H -69.8 -40.9 15.0 0.097 0.0 HOH
3.860
CG2
O
1a00 1 P69905 100.0 4e-100 X-RAY
1998-03-18 VAL A:121 A:121 18.0 0.116 H -77.5 -38.8 18.0 0.116 0.0 HOH
3.317
CG2
O
VAL C:121 C:121 17.0 0.11 H -69.2 -40.1 17.0 0.11 0.0 HOH
3.982
CG2
O
1a01 1 P69905 100.0 4e-100 X-RAY
1998-03-18 VAL A:121 A:121 17.0 0.11 H -64.8 -43.1 17.0 0.11 0.0 HOH
4.340
CG2
O
VAL C:121 C:121 14.0 0.09 H -69.5 -41.7 14.0 0.09 0.0 HOH
4.083
CG2
O
1a0u 1 P69905 100.0 4e-100 X-RAY
1998-03-18 VAL A:121 A:121 15.0 0.097 H -68.2 -43.1 15.0 0.097 0.0 HOH
3.736
CG2
O
VAL C:121 C:121 18.0 0.116 H -71.5 -37.8 18.0 0.116 0.0 HOH
4.899
N
O
1a0z 1 P69905 100.0 4e-100 X-RAY
1998-03-18 VAL A:121 A:121 19.0 0.123 H -76.9 -40.1 19.0 0.123 0.0 HOH
3.385
CG2
O
VAL C:121 C:121 16.0 0.103 H -70.1 -40.1 16.0 0.103 0.0 HOH
3.740
CG2
O
1a3n 1 P69905 100.0 4e-100 X-RAY
1998-04-29 VAL A:121 A:121 14.0 0.09 H -68.1 -40.5 14.0 0.09 0.0 HOH
3.773
CG2
O
VAL C:121 C:121 14.0 0.09 H -69.9 -40.3 14.0 0.09 0.0 HOH
3.722
CG2
O
1a9w 1 P69905 100.0 4e-100 X-RAY
1998-06-17 VAL A:121 A:121 18.0 0.116 H -69.6 -44.7 18.0 0.116 0.0
VAL C:121 C:121 18.0 0.116 H -69.5 -44.9 18.0 0.116 0.0
1b86 1 P69905 100.0 4e-100 X-RAY
1999-02-14 VAL A:121 A:121 15.0 0.097 H -69.7 -33.2 15.0 0.097 0.0 HOH
3.664
CG2
O
VAL C:121 C:521 17.0 0.11 H -81.4 -35.4 17.0 0.11 0.0 HOH
4.879
N
O
1bbb 1 P69905 100.0 4e-100 X-RAY
1993-10-31 VAL A:121 A:121 18.0 0.116 H -69.4 -40.7 18.0 0.116 0.0 HOH
3.450
CG2
O
VAL C:121 C:121 19.0 0.123 H -72.2 -38.2 19.0 0.123 0.0 HOH
3.829
CG2
O
1bij 1 P69905 100.0 4e-100 X-RAY
1999-03-30 VAL A:121 A:121 15.0 0.097 H -81.8 -23.0 15.0 0.097 0.0 HOH
4.257
CG2
O
VAL C:121 C:121 13.0 0.084 H -66.2 -36.3 13.0 0.084 0.0 HOH
4.655
CG2
O
1buw 1 P69905 100.0 4e-100 X-RAY
1998-09-16 VAL A:121 A:121 19.0 0.123 H -70.7 -39.7 19.0 0.123 0.0 HOH
3.528
CG2
O
VAL C:121 C:121 19.0 0.123 H -70.6 -38.8 19.0 0.123 0.0 HOH
3.639
CG2
O
1bz0 1 P69905 100.0 4e-100 X-RAY
1998-11-11 VAL A:121 A:121 17.0 0.11 H -68.1 -43.0 17.0 0.11 0.0 HOH
3.653
CG2
O
VAL C:121 C:121 15.0 0.097 H -70.2 -39.1 15.0 0.097 0.0 HOH
3.960
CG2
O
1cls 1 P69905 100.0 4e-100 X-RAY
1996-10-14 VAL A:121 A:121 17.0 0.11 H -66.9 -46.2 17.0 0.11 0.0 HOH
3.494
CG2
O
VAL C:121 C:121 15.0 0.097 H -73.1 -39.8 15.0 0.097 0.0 HOH
4.346
CG2
O
1cmy 1 P69905 100.0 4e-100 X-RAY
1993-10-31 VAL A:121 A:121 18.0 0.116 H -76.8 -36.9 18.0 0.116 0.0
VAL C:121 C:121 15.0 0.097 H -75.8 -37.7 15.0 0.097 0.0
1coh 1 P69905 100.0 4e-100 X-RAY
1990-01-15 VAL A:121 A:121 17.0 0.11 H -79.6 -35.1 17.0 0.11 0.0 HOH
3.508
CG2
O
VAL C:121 C:121 15.0 0.097 H -77.7 -34.0 15.0 0.097 0.0 HOH
4.252
CG2
O
1dke 1 P69905 100.0 4e-100 X-RAY
2000-05-23 VAL A:121 A:121 17.0 0.11 H -66.8 -32.7 17.0 0.11 0.0 HOH
3.803
CG2
O
VAL C:121 C:121 19.0 0.123 H -68.1 -47.8 19.0 0.123 0.0 HOH
4.547
N
O
1dxt 1 P69905 100.0 4e-100 X-RAY
1993-10-31 VAL A:121 A:121 17.0 0.11 H -66.1 -43.2 17.0 0.11 0.0 HOH
3.871
CG2
O
VAL C:121 C:121 16.0 0.103 H -69.4 -41.4 16.0 0.103 0.0 HOH
4.012
CG2
O
1dxu 1 P69905 100.0 4e-100 X-RAY
1993-10-31 VAL A:121 A:121 17.0 0.11 H -66.1 -43.8 17.0 0.11 0.0 HOH
4.018
CG2
O
VAL C:121 C:121 16.0 0.103 H -70.5 -41.9 16.0 0.103 0.0 HOH
4.214
CG2
O
1dxv 1 P69905 100.0 4e-100 X-RAY
1993-10-31 VAL A:121 A:121 16.0 0.103 H -66.9 -41.3 16.0 0.103 0.0 HOH
3.719
CG2
O
VAL C:121 C:121 16.0 0.103 H -70.2 -38.9 16.0 0.103 0.0 HOH
4.039
CG2
O
1fdh 1 P69905 100.0 4e-100 X-RAY
1976-08-19 VAL A:121 A:121 17.0 0.11 H -85.9 -33.7 17.0 0.11 0.0
VAL C:121 B:121 17.0 0.11 H -85.9 -33.7 17.0 0.11 0.0
1fn3 1 P69905 100.0 4e-100 X-RAY
2003-10-07 VAL A:121 A:121 13.0 0.084 H -70.4 -29.8 13.0 0.084 0.0 HOH
5.107
CG2
O
VAL C:121 C:121 12.0 0.077 H -70.9 -28.7 12.0 0.077 0.0 HOH
8.823
O
O
1g9v 1 P69905 100.0 4e-100 X-RAY
2000-12-06 VAL A:121 A:121 17.0 0.11 H -68.7 -39.7 17.0 0.11 0.0 HOH
3.719
CG2
O
VAL C:121 C:521 15.0 0.097 H -68.2 -36.8 15.0 0.097 0.0 HOH
4.352
CG2
O
1gbu 1 P69905 100.0 4e-100 X-RAY
1997-01-11 VAL A:121 A:121 14.0 0.09 H -65.6 -52.4 14.0 0.09 0.0 HOH
3.567
CG2
O
VAL C:121 C:121 14.0 0.09 H -71.2 -43.0 14.0 0.09 0.0 HOH
3.481
CG2
O
1gbv 1 P69905 100.0 4e-100 X-RAY
1997-01-11 VAL A:121 A:121 18.0 0.116 H -71.8 -47.6 18.0 0.116 0.0 HOH
3.841
CG2
O
VAL C:121 C:121 14.0 0.09 H -65.3 -39.5 14.0 0.09 0.0 HOH
4.748
N
O
1gzx 1 P69905 100.0 4e-100 X-RAY
2002-07-08 VAL A:121 A:121 17.0 0.11 H -66.1 -47.7 17.0 0.11 0.0 HOH
4.393
N
O
VAL C:121 C:521 14.0 0.09 H -73.1 -21.3 14.0 0.09 0.0 HOH
4.911
N
O
1hab 1 P69905 100.0 4e-100 X-RAY
1997-11-12 VAL A:121 A:121 17.0 0.11 H -61.3 -41.7 17.0 0.11 0.0 HOH
4.766
N
O
VAL C:121 C:121 20.0 0.129 H -70.1 -48.1 20.0 0.129 0.0 HOH
4.850
N
O
1hac 1 P69905 100.0 4e-100 X-RAY
1997-11-12 VAL A:121 A:121 18.0 0.116 H -68.3 -36.9 18.0 0.116 0.0 HOH
8.610
O
O
VAL C:121 C:121 20.0 0.129 H -63.2 -45.7 20.0 0.129 0.0 HOH
5.555
N
O
1hba 1 P69905 100.0 4e-100 X-RAY
1994-01-31 VAL A:121 A:121 15.0 0.097 H -68.9 -42.6 15.0 0.097 0.0 HOH
3.675
CG2
O
VAL C:121 C:121 16.0 0.103 H -73.7 -39.7 16.0 0.103 0.0 HOH
4.860
N
O
1hbb 1 P69905 100.0 4e-100 X-RAY
1994-01-31 VAL A:121 A:121 16.0 0.103 H -69.2 -42.7 16.0 0.103 0.0 HOH
3.699
CG2
O
VAL C:121 C:121 17.0 0.11 H -72.5 -38.6 17.0 0.11 0.0 HOH
4.864
N
O
1hbs 1 P69905 100.0 4e-100 X-RAY
1982-07-29 VAL A:121 A:121 5.0 0.032 H -88.8 -48.2 5.0 0.032 0.0
VAL C:121 C:121 16.0 0.103 H -60.6 -46.5 16.0 0.103 0.0
VAL E:121 E:121 16.0 0.103 H -85.7 -35.5 NA NA NA
VAL G:121 G:121 6.0 0.039 H -75.3 -40.1 NA NA NA
1hco 1 P69905 100.0 4e-100 X-RAY
1979-08-26 VAL A:121 A:121 13.0 0.084 H -77.7 -24.4 13.0 0.084 0.0
1hdb 1 P01922 100.0 4e-100 X-RAY
1996-04-03 VAL A:121 A:121 14.0 0.09 H -74.0 -37.7 14.0 0.09 0.0 HOH
3.412
CG2
O
VAL C:121 C:121 17.0 0.11 H -74.7 -38.0 17.0 0.11 0.0 HOH
3.498
CG2
O
1hga 1 P69905 100.0 4e-100 X-RAY
1994-01-31 VAL A:121 A:121 17.0 0.11 H -65.2 -45.2 17.0 0.11 0.0 HOH
8.595
O
O
VAL C:121 C:121 14.0 0.09 H -77.4 -36.2 14.0 0.09 0.0 HOH
4.988
N
O
1hgb 1 P69905 100.0 4e-100 X-RAY
1994-01-31 VAL A:121 A:121 17.0 0.11 H -73.0 -43.2 17.0 0.11 0.0 HOH
4.238
CG2
O
VAL C:121 C:121 22.0 0.142 H -74.7 -50.1 22.0 0.142 0.0 HOH
5.515
N
O
1hgc 1 P69905 100.0 4e-100 X-RAY
1994-01-31 VAL A:121 A:121 18.0 0.116 H -65.8 -43.2 18.0 0.116 0.0 HOH
7.867
O
O
VAL C:121 C:121 17.0 0.11 H -75.8 -38.4 17.0 0.11 0.0 HOH
5.268
N
O
1hho 1 P69905 100.0 4e-100 X-RAY
1983-10-27 VAL A:121 A:121 11.0 0.071 H -87.5 -28.9 11.0 0.071 0.0 HOH
6.918
CG2
O
1ird 1 P69905 100.0 4e-100 X-RAY
2001-10-17 VAL A:121 A:121 18.0 0.116 H -71.3 -39.0 18.0 0.116 0.0 HOH
3.363
CG2
O
1j3y 1 P69905 100.0 4e-100 X-RAY
2003-07-22 VAL A:121 A:121 17.0 0.11 H -72.7 -39.9 17.0 0.11 0.0 HOH
3.355
CG2
O
VAL C:121 C:121 17.0 0.11 H -68.3 -41.6 17.0 0.11 0.0 HOH
3.415
CG2
O
VAL E:121 E:121 14.0 0.09 H -69.8 -41.9 NA NA NA
VAL G:121 G:121 13.0 0.084 H -67.0 -39.2 NA NA NA
1j3z 1 P69905 100.0 4e-100 X-RAY
2003-07-22 VAL A:121 A:121 15.0 0.097 H -68.6 -42.1 15.0 0.097 0.0 HOH
3.542
CG2
O
VAL C:121 C:121 16.0 0.103 H -71.1 -41.5 16.0 0.103 0.0 HOH
3.328
CG2
O
VAL E:121 E:121 17.0 0.11 H -69.0 -41.0 NA NA NA
VAL G:121 G:121 15.0 0.097 H -67.7 -41.3 NA NA NA
1j40 1 P69905 100.0 4e-100 X-RAY
2003-07-22 VAL A:121 A:121 16.0 0.103 H -71.0 -40.2 16.0 0.103 0.0 HOH
3.463
CG2
O
VAL C:121 C:121 16.0 0.103 H -69.2 -41.4 16.0 0.103 0.0 HOH
3.423
CG2
O
VAL E:121 E:121 17.0 0.11 H -68.5 -42.8 NA NA NA
VAL G:121 G:121 15.0 0.097 H -68.7 -42.7 NA NA NA
1j41 1 P69905 100.0 4e-100 X-RAY
2003-07-22 VAL A:121 A:121 17.0 0.11 H -70.2 -41.7 17.0 0.11 0.0 HOH
3.289
CG2
O
VAL C:121 C:121 17.0 0.11 H -68.9 -41.2 17.0 0.11 0.0 HOH
3.431
CG2
O
VAL E:121 E:121 18.0 0.116 H -70.7 -42.6 NA NA NA
VAL G:121 G:121 14.0 0.09 H -67.0 -43.9 NA NA NA
1jy7 1 P69905 100.0 4e-100 X-RAY
2002-03-11 VAL A:121 A:121 18.0 0.116 H -75.0 -54.1 18.0 0.116 0.0
VAL C:121 C:121 19.0 0.123 H -74.0 -55.1 19.0 0.123 0.0
VAL E:121 P:121 18.0 0.116 H -76.2 -53.9 NA NA NA
VAL G:121 R:121 19.0 0.123 H -77.3 -51.8 NA NA NA
VAL I:121 U:121 19.0 0.123 H -76.4 -52.9 NA NA NA
VAL K:121 W:121 19.0 0.123 H -74.5 -55.5 NA NA NA
1k0y 1 P69905 100.0 4e-100 X-RAY
2001-10-03 VAL A:121 A:121 16.0 0.103 H -69.4 -40.6 16.0 0.103 0.0 HOH
3.411
CG2
O
VAL C:121 C:521 17.0 0.11 H -69.1 -38.3 17.0 0.11 0.0 HOH
3.442
CG2
O
1k1k 1 P69905 100.0 4e-100 X-RAY
2002-12-04 VAL A:121 A:121 17.0 0.11 H -66.5 -36.8 17.0 0.11 0.0 HOH
3.801
CG2
O
1kd2 1 P69905 100.0 4e-100 X-RAY
2003-06-10 VAL A:121 A:121 13.0 0.084 H -71.8 -37.6 13.0 0.084 0.0 HOH
7.044
N
O
VAL C:121 C:121 15.0 0.097 H -70.2 -42.7 15.0 0.097 0.0 HOH
4.155
CG2
O
1lfl 1 P69905 100.0 4e-100 X-RAY
2002-10-12 VAL A:121 A:121 13.0 0.084 H -67.4 -39.0 13.0 0.084 0.0 HOH
3.490
CG2
O
VAL C:121 C:121 16.0 0.103 H -60.7 -43.9 16.0 0.103 0.0 HOH
6.031
N
O
VAL E:121 P:121 20.0 0.129 H -71.5 -41.1 NA NA NA
VAL G:121 R:121 18.0 0.116 H -63.9 -37.7 NA NA NA
1lfq 1 P69905 100.0 4e-100 X-RAY
2002-10-12 VAL A:121 A:121 13.0 0.084 H -69.7 -34.2 13.0 0.084 0.0 HOH
7.265
N
O
1lft 1 P69905 100.0 4e-100 X-RAY
2002-10-12 VAL A:121 A:121 17.0 0.11 H -72.6 -26.3 17.0 0.11 0.0
1lfv 1 P69905 100.0 4e-100 X-RAY
2002-10-12 VAL A:121 A:121 15.0 0.097 H -63.3 -34.8 15.0 0.097 0.0
1lfy 1 P69905 100.0 4e-100 X-RAY
2002-10-12 VAL A:121 A:121 16.0 0.103 H -73.1 -26.7 16.0 0.103 0.0
1lfz 1 P69905 100.0 4e-100 X-RAY
2002-10-12 VAL A:121 A:121 9.0 0.058 H -62.2 -59.5 9.0 0.058 0.0
1ljw 1 P69905 100.0 4e-100 X-RAY
2002-05-01 VAL A:121 A:121 17.0 0.11 H -66.4 -37.3 17.0 0.11 0.0 HOH
3.513
CG2
O
1m9p 1 P69905 100.0 4e-100 X-RAY
2003-08-12 VAL A:121 A:121 18.0 0.116 H -72.6 -29.9 18.0 0.116 0.0 HOH
3.482
CG2
O
VAL C:121 C:121 17.0 0.11 H -68.4 -29.6 17.0 0.11 0.0 HOH
3.269
CG2
O
1mko 1 P69905 100.0 4e-100 X-RAY
2002-09-06 VAL A:121 A:121 11.0 0.071 H -58.3 -44.0 11.0 0.071 0.0 HOH
4.790
N
O
VAL C:121 C:121 16.0 0.103 H -75.7 -37.5 16.0 0.103 0.0 HOH
3.597
CG2
O
1nej 1 P69905 100.0 4e-100 X-RAY
2003-12-16 VAL A:121 A:121 10.0 0.065 H -79.9 -29.3 10.0 0.065 0.0 HOH
5.176
N
O
VAL C:121 C:121 11.0 0.071 H -74.8 -34.4 11.0 0.071 0.0 HOH
4.992
CG2
O
1nih 1 P69905 100.0 4e-100 X-RAY
1992-10-15 VAL A:121 A:121 16.0 0.103 H -64.9 -46.7 16.0 0.103 0.0 HOH
4.410
CG2
O
VAL C:121 C:121 16.0 0.103 H -72.9 -34.0 16.0 0.103 0.0 HOH
6.022
N
O
1nqp 1 P69905,P01922 100.0 4e-100 X-RAY
2004-03-02 VAL A:121 A:121 19.0 0.123 H -66.1 -39.6 19.0 0.123 0.0 HOH
3.649
CG2
O
VAL C:121 C:121 14.0 0.09 H -69.2 -39.0 14.0 0.09 0.0 HOH
3.761
CG2
O
1qsh 1 P69905 100.0 4e-100 X-RAY
1999-07-02 VAL A:121 A:121 15.0 0.097 H -69.4 -43.8 15.0 0.097 0.0 HOH
3.526
CG2
O
VAL C:121 C:121 15.0 0.097 H -70.6 -36.7 15.0 0.097 0.0 HOH
3.695
CG2
O
1qsi 1 P69905 100.0 4e-100 X-RAY
1999-07-02 VAL A:121 A:121 15.0 0.097 H -69.3 -42.0 15.0 0.097 0.0 HOH
3.458
CG2
O
VAL C:121 C:121 13.0 0.084 H -69.8 -39.9 13.0 0.084 0.0 HOH
4.097
CG2
O
1qxd 1 P69905 100.0 4e-100 X-RAY
2003-09-16 VAL A:121 A:121 6.0 0.039 H -66.8 -42.4 6.0 0.039 0.0 HOH
3.130
CG2
O
VAL C:121 C:121 18.0 0.116 H -60.3 -46.2 18.0 0.116 0.0 HOH
3.269
CG2
O
1qxe 1 P69905 100.0 4e-100 X-RAY
2003-09-16 VAL A:121 A:121 12.0 0.077 H -65.2 -43.7 12.0 0.077 0.0 HOH
3.532
CG2
O
VAL C:121 C:121 17.0 0.11 H -65.9 -44.8 17.0 0.11 0.0 SO4
HOH
8.317
3.621
CG2
CG2
O3
O
1rps 1 P69905 100.0 4e-100 X-RAY
2003-12-23 VAL A:121 A:121 17.0 0.11 H -66.7 -45.5 17.0 0.11 0.0 HOH
3.678
CG2
O
VAL C:121 C:121 17.0 0.11 H -76.5 -35.6 17.0 0.11 0.0 HOH
4.707
N
O
1rq3 1 P69905 100.0 4e-100 X-RAY
2003-12-23 VAL A:121 A:121 15.0 0.097 H -67.6 -42.5 15.0 0.097 0.0 HOH
3.780
CG2
O
VAL C:121 C:121 17.0 0.11 H -73.0 -39.7 17.0 0.11 0.0 HOH
4.838
N
O
1rq4 1 P69905 100.0 4e-100 X-RAY
2003-12-23 VAL A:121 A:121 18.0 0.116 H -66.1 -41.8 18.0 0.116 0.0 HOH
4.290
CG2
O
VAL C:121 C:121 18.0 0.116 H -71.5 -40.9 18.0 0.116 0.0 HOH
4.650
N
O
1rqa 1 P69905 100.0 4e-100 X-RAY
2005-01-04 VAL A:121 A:121 20.0 0.129 H -66.5 -40.3 20.0 0.129 0.0 HOH
3.662
CG2
O
VAL C:121 C:121 18.0 0.116 H -63.4 -37.6 18.0 0.116 0.0 HOH
5.020
N
O
1sdk 1 P69905 100.0 4e-100 X-RAY
1996-08-01 VAL A:121 A:121 19.0 0.123 H -67.5 -35.2 19.0 0.123 0.0 HOH
3.354
CG2
O
VAL C:121 C:121 17.0 0.11 H -70.0 -37.2 17.0 0.11 0.0 HOH
3.655
CG2
O
1sdl 1 P69905 100.0 4e-100 X-RAY
1996-08-01 VAL A:121 A:121 15.0 0.097 H -69.8 -39.1 15.0 0.097 0.0 HOH
3.739
CG2
O
VAL C:121 C:121 17.0 0.11 H -65.8 -40.5 17.0 0.11 0.0 HOH
3.975
CG2
O
1shr 1 P69905 100.0 4e-100 X-RAY
2004-10-26 VAL A:121 A:121 19.0 0.123 H -68.3 -41.8 19.0 0.123 0.0 HOH
3.423
CG2
O
VAL C:121 C:121 17.0 0.11 H -67.8 -41.3 17.0 0.11 0.0 HOH
3.796
CG2
O
1si4 1 P69905 100.0 4e-100 X-RAY
2004-10-26 VAL A:121 A:121 20.0 0.129 H -65.3 -37.8 20.0 0.129 0.0 HOH
4.031
CG2
O
VAL C:121 C:121 17.0 0.11 H -76.9 -30.0 17.0 0.11 0.0 HOH
2.812
CG2
O
1thb 1 P69905 100.0 4e-100 X-RAY
1991-01-15 VAL A:121 A:121 15.0 0.097 H -69.6 -44.6 15.0 0.097 0.0 HOH
3.561
CG2
O
VAL C:121 C:121 15.0 0.097 H -68.5 -42.8 15.0 0.097 0.0 HOH
4.879
N
O
1uiw 1 P69905 100.0 4e-100 X-RAY
2003-08-12 VAL A:121 A:121 17.0 0.11 H -65.7 -40.6 17.0 0.11 0.0 HOH
3.582
CG2
O
VAL C:121 C:121 7.0 0.045 H -67.9 -41.3 7.0 0.045 0.0 HOH
3.969
CG2
O
VAL E:121 E:121 10.0 0.065 H -72.8 -39.5 NA NA NA
VAL G:121 G:121 9.0 0.058 H -69.3 -43.1 NA NA NA
1xxt 1 P69905 100.0 4e-100 X-RAY
2004-12-07 VAL A:121 A:121 16.0 0.103 H -69.8 -41.4 16.0 0.103 0.0 HOH
3.725
CG2
O
VAL C:121 C:121 17.0 0.11 H -72.6 -38.1 17.0 0.11 0.0 HOH
4.896
N
O
1xz2 1 P01922 100.0 4e-100 X-RAY
2004-11-30 VAL A:121 A:121 18.0 0.116 H -71.0 -39.0 18.0 0.116 0.0 HOH
4.791
N
O
VAL C:121 C:121 18.0 0.116 H -70.9 -39.7 18.0 0.116 0.0 HOH
3.785
CG2
O
1y0t 1 P69905 100.0 4e-100 X-RAY
2004-12-07 VAL A:121 A:121 16.0 0.103 H -67.3 -44.8 16.0 0.103 0.0 HOH
3.870
CG2
O
VAL C:121 C:121 18.0 0.116 H -70.7 -36.0 18.0 0.116 0.0 HOH
4.904
N
O
1y0w 1 P69905 100.0 4e-100 X-RAY
2004-12-07 VAL A:121 A:121 16.0 0.103 H -67.9 -41.4 16.0 0.103 0.0 HOH
4.070
CG2
O
VAL C:121 C:121 17.0 0.11 H -71.4 -40.1 17.0 0.11 0.0 HOH
4.709
N
O
1y22 1 P69905 100.0 4e-100 X-RAY
2004-12-07 VAL A:121 A:121 15.0 0.097 H -69.6 -44.1 15.0 0.097 0.0 HOH
3.911
CG2
O
VAL C:121 C:121 18.0 0.116 H -72.9 -35.1 18.0 0.116 0.0 HOH
4.885
N
O
1y2z 1 P69905 100.0 4e-100 X-RAY
2004-12-07 VAL A:121 A:121 15.0 0.097 H -66.7 -45.3 15.0 0.097 0.0 HOH
3.904
CG2
O
VAL C:121 C:121 18.0 0.116 H -71.4 -36.3 18.0 0.116 0.0 HOH
4.910
N
O
1y31 1 P69905 100.0 4e-100 X-RAY
2004-12-07 VAL A:121 A:121 15.0 0.097 H -70.3 -45.0 15.0 0.097 0.0 HOH
3.910
CG2
O
VAL C:121 C:121 18.0 0.116 H -70.1 -38.7 18.0 0.116 0.0 HOH
4.892
N
O
1y35 1 P69905 100.0 4e-100 X-RAY
2004-12-07 VAL A:121 A:121 16.0 0.103 H -68.3 -45.7 16.0 0.103 0.0 HOH
3.908
CG2
O
VAL C:121 C:121 17.0 0.11 H -71.3 -35.0 17.0 0.11 0.0 HOH
5.014
N
O
1y45 1 P69905 100.0 4e-100 X-RAY
2004-12-07 VAL A:121 A:121 15.0 0.097 H -71.3 -40.3 15.0 0.097 0.0 HOH
4.092
CG2
O
VAL C:121 C:121 16.0 0.103 H -77.0 -39.7 16.0 0.103 0.0 HOH
4.690
N
O
1y46 1 P69905 100.0 4e-100 X-RAY
2004-12-07 VAL A:121 A:121 14.0 0.09 H -71.6 -52.0 14.0 0.09 0.0 HOH
4.719
CG2
O
VAL C:121 C:121 21.0 0.135 H -76.2 -34.0 21.0 0.135 0.0 HOH
4.815
N
O
1y4b 1 P69905 100.0 4e-100 X-RAY
2004-12-07 VAL A:121 A:121 17.0 0.11 H -72.7 -43.4 17.0 0.11 0.0 HOH
3.812
CG2
O
VAL C:121 C:121 17.0 0.11 H -68.8 -42.4 17.0 0.11 0.0 HOH
4.608
N
O
1y4f 1 P69905 100.0 4e-100 X-RAY
2004-12-07 VAL A:121 A:121 15.0 0.097 H -72.7 -38.2 15.0 0.097 0.0 HOH
4.168
CG2
O
VAL C:121 C:121 17.0 0.11 H -69.5 -40.6 17.0 0.11 0.0 HOH
4.809
N
O
1y4g 1 P69905 100.0 4e-100 X-RAY
2004-12-07 VAL A:121 A:121 17.0 0.11 H -70.4 -41.2 17.0 0.11 0.0 HOH
4.090
CG2
O
VAL C:121 C:121 17.0 0.11 H -68.6 -41.8 17.0 0.11 0.0 HOH
4.730
N
O
1y4p 1 P69905 100.0 4e-100 X-RAY
2004-12-07 VAL A:121 A:121 16.0 0.103 H -71.9 -42.5 16.0 0.103 0.0 HOH
4.284
CG2
O
VAL C:121 C:121 18.0 0.116 H -73.4 -40.7 18.0 0.116 0.0 HOH
4.909
N
O
1y4q 1 P69905 100.0 4e-100 X-RAY
2004-12-07 VAL A:121 A:121 16.0 0.103 H -67.9 -44.4 16.0 0.103 0.0 HOH
3.788
CG2
O
VAL C:121 C:121 18.0 0.116 H -73.3 -34.1 18.0 0.116 0.0 HOH
4.957
N
O
1y4r 1 P69905 100.0 4e-100 X-RAY
2004-12-07 VAL A:121 A:121 16.0 0.103 H -67.4 -43.6 16.0 0.103 0.0 HOH
3.602
CG2
O
VAL C:121 C:121 16.0 0.103 H -71.4 -37.7 16.0 0.103 0.0 HOH
4.894
N
O
1y4v 1 P69905 100.0 4e-100 X-RAY
2004-12-07 VAL A:121 A:121 16.0 0.103 H -70.4 -43.0 16.0 0.103 0.0 HOH
3.865
CG2
O
VAL C:121 C:121 17.0 0.11 H -71.6 -37.5 17.0 0.11 0.0 HOH
4.857
N
O
1y5f 1 P69905 100.0 4e-100 X-RAY
2004-12-14 VAL A:121 A:121 16.0 0.103 H -67.7 -44.9 16.0 0.103 0.0 HOH
3.885
CG2
O
VAL C:121 C:121 19.0 0.123 H -71.3 -38.6 19.0 0.123 0.0 HOH
4.986
N
O
1y5j 1 P69905 100.0 4e-100 X-RAY
2004-12-14 VAL A:121 A:121 14.0 0.09 H -70.2 -42.3 14.0 0.09 0.0 HOH
3.863
CG2
O
VAL C:121 C:121 18.0 0.116 H -73.7 -32.1 18.0 0.116 0.0 HOH
5.090
N
O
1y5k 1 P69905 100.0 4e-100 X-RAY
2004-12-14 VAL A:121 A:121 16.0 0.103 H -63.2 -53.7 16.0 0.103 0.0 HOH
3.873
CG2
O
VAL C:121 C:121 14.0 0.09 H -78.4 -40.4 14.0 0.09 0.0 HOH
4.891
N
O
1y7c 1 P69905 100.0 4e-100 X-RAY
2004-12-14 VAL A:121 A:121 15.0 0.097 H -70.3 -44.8 15.0 0.097 0.0 HOH
3.987
CG2
O
VAL C:121 C:121 16.0 0.103 H -73.1 -31.6 16.0 0.103 0.0 HOH
4.892
N
O
1y7d 1 P69905 100.0 4e-100 X-RAY
2004-12-14 VAL A:121 A:121 16.0 0.103 H -68.0 -43.9 16.0 0.103 0.0 HOH
4.108
CG2
O
VAL C:121 C:121 18.0 0.116 H -71.2 -34.5 18.0 0.116 0.0 HOH
4.920
N
O
1y7g 1 P69905 100.0 4e-100 X-RAY
2004-12-14 VAL A:121 A:121 16.0 0.103 H -67.7 -45.3 16.0 0.103 0.0 HOH
3.810
CG2
O
VAL C:121 C:121 17.0 0.11 H -70.5 -33.7 17.0 0.11 0.0 HOH
5.026
N
O
1y7z 1 P69905 100.0 4e-100 X-RAY
2004-12-21 VAL A:121 A:121 17.0 0.11 H -71.1 -42.7 17.0 0.11 0.0 HOH
3.729
CG2
O
VAL C:121 C:121 18.0 0.116 H -72.0 -36.6 18.0 0.116 0.0 HOH
4.838
N
O
1y83 1 P69905 100.0 4e-100 X-RAY
2004-12-21 VAL A:121 A:121 14.0 0.09 H -68.9 -42.5 14.0 0.09 0.0 HOH
3.801
CG2
O
VAL C:121 C:121 16.0 0.103 H -69.6 -39.3 16.0 0.103 0.0 HOH
4.982
N
O
1y85 1 P69905 100.0 4e-100 X-RAY
2004-12-21 VAL A:121 A:121 16.0 0.103 H -70.1 -42.2 16.0 0.103 0.0 HOH
3.806
CG2
O
VAL C:121 C:121 18.0 0.116 H -74.1 -36.2 18.0 0.116 0.0 HOH
4.984
N
O
1ye0 1 P69905 100.0 4e-100 X-RAY
2005-01-04 VAL A:121 A:121 17.0 0.11 H -65.8 -38.6 17.0 0.11 0.0 HOH
4.073
CG2
O
VAL C:121 C:121 13.0 0.084 H -71.9 -29.5 13.0 0.084 0.0 HOH
4.595
N
O
1ye1 1 P69905 100.0 4e-100 X-RAY
2005-01-04 VAL A:121 A:121 16.0 0.103 H -70.2 -45.0 16.0 0.103 0.0 HOH
3.476
CG2
O
VAL C:121 C:121 19.0 0.123 H -70.1 -38.7 19.0 0.123 0.0 HOH
4.368
N
O
1ye2 1 P69905 100.0 4e-100 X-RAY
2005-01-04 VAL A:121 A:121 17.0 0.11 H -71.7 -42.7 17.0 0.11 0.0 HOH
3.849
CG2
O
VAL C:121 C:121 17.0 0.11 H -74.6 -37.7 17.0 0.11 0.0 HOH
4.800
N
O
1yen 1 P69905 100.0 4e-100 X-RAY
2005-01-11 VAL A:121 A:121 15.0 0.097 H -65.8 -29.8 15.0 0.097 0.0 HOH
4.246
CG2
O
VAL C:121 C:121 15.0 0.097 H -67.9 -43.3 15.0 0.097 0.0 HOH
5.298
N
O
1yeo 1 P69905 100.0 4e-100 X-RAY
2005-02-01 VAL A:121 A:121 18.0 0.116 H -70.5 -34.6 18.0 0.116 0.0 HOH
4.026
CG2
O
VAL C:121 C:121 19.0 0.123 H -67.5 -36.5 19.0 0.123 0.0 HOH
4.660
N
O
1yeq 1 P69905 100.0 4e-100 X-RAY
2005-01-11 VAL A:121 A:121 16.0 0.103 H -75.4 -39.0 16.0 0.103 0.0 HOH
4.445
CG2
O
VAL C:121 C:121 17.0 0.11 H -74.5 -36.8 17.0 0.11 0.0 HOH
4.630
N
O
1yeu 1 P69905 100.0 4e-100 X-RAY
2005-01-11 VAL A:121 A:121 17.0 0.11 H -73.9 -38.5 17.0 0.11 0.0 HOH
4.301
CG2
O
VAL C:121 C:121 18.0 0.116 H -68.6 -36.3 18.0 0.116 0.0 HOH
4.695
N
O
1yev 1 P69905 100.0 4e-100 X-RAY
2005-01-11 VAL A:121 A:121 18.0 0.116 H -73.6 -38.4 18.0 0.116 0.0 HOH
4.161
CG2
O
VAL C:121 C:121 19.0 0.123 H -74.1 -38.6 19.0 0.123 0.0 HOH
4.774
N
O
1yff 1 P69905 100.0 4e-100 X-RAY
2005-01-11 VAL A:121 A:121 15.0 0.097 H -76.5 -30.4 15.0 0.097 0.0 HOH
3.566
CG2
O
VAL C:121 C:121 13.0 0.084 H -74.8 -32.2 13.0 0.084 0.0 HOH
4.211
CG2
O
VAL E:121 E:121 14.0 0.09 H -78.9 -33.4 NA NA NA
VAL G:121 G:121 13.0 0.084 H -73.5 -32.3 NA NA NA
1yg5 1 P69905 100.0 4e-100 X-RAY
2005-01-11 VAL A:121 A:121 17.0 0.11 H -76.3 -40.1 17.0 0.11 0.0 HOH
4.194
CG2
O
VAL C:121 C:121 13.0 0.084 H -66.1 -52.8 13.0 0.084 0.0 HOH
4.823
N
O
1ygd 1 P69905 100.0 4e-100 X-RAY
2005-01-11 VAL A:121 A:121 17.0 0.11 H -70.8 -48.7 17.0 0.11 0.0 HOH
4.290
CG2
O
VAL C:121 C:121 16.0 0.103 H -74.1 -46.7 16.0 0.103 0.0 HOH
4.985
N
O
1ygf 1 P69905 100.0 4e-100 X-RAY
2005-01-11 VAL A:121 A:121 14.0 0.09 H -79.6 -21.4 14.0 0.09 0.0 HOH
4.416
CG2
O
VAL C:121 C:121 19.0 0.123 H -69.9 -29.7 19.0 0.123 0.0 HOH
4.687
N
O
1yh9 1 P69905 100.0 4e-100 X-RAY
2005-01-18 VAL A:121 A:121 15.0 0.097 H -71.5 -38.8 15.0 0.097 0.0 HOH
4.797
N
O
VAL C:121 C:121 16.0 0.103 H -69.0 -36.4 16.0 0.103 0.0 HOH
4.882
N
O
1yhe 1 P69905 100.0 4e-100 X-RAY
2005-01-18 VAL A:121 A:121 15.0 0.097 H -73.0 -38.4 15.0 0.097 0.0 HOH
4.057
CG2
O
VAL C:121 C:121 18.0 0.116 H -68.5 -39.1 18.0 0.116 0.0 HOH
4.620
N
O
1yhr 1 P69905 100.0 4e-100 X-RAY
2005-01-18 VAL A:121 A:121 15.0 0.097 H -74.6 -37.8 15.0 0.097 0.0 HOH
4.152
CG2
O
VAL C:121 C:121 19.0 0.123 H -59.9 -53.6 19.0 0.123 0.0 HOH
4.474
N
O
1yie 1 P69905 100.0 4e-100 X-RAY
2005-01-18 VAL A:121 A:121 15.0 0.097 H -73.3 -37.7 15.0 0.097 0.0 HOH
4.875
N
O
VAL C:121 C:121 18.0 0.116 H -63.4 -39.8 18.0 0.116 0.0 HOH
4.985
N
O
1yih 1 P69905 100.0 4e-100 X-RAY
2005-01-18 VAL A:121 A:121 17.0 0.11 H -72.5 -41.6 17.0 0.11 0.0 HOH
3.919
CG2
O
VAL C:121 C:121 18.0 0.116 H -73.3 -37.1 18.0 0.116 0.0 HOH
4.610
N
O
1yvq 1 P69905 100.0 4e-100 X-RAY
2006-02-28 VAL A:121 A:121 18.0 0.116 H -71.1 -38.9 18.0 0.116 0.0 HOH
3.592
CG2
O
VAL C:121 C:121 15.0 0.097 H -68.9 -39.9 15.0 0.097 0.0 HOH
3.597
CG2
O
1yvt 1 P69905 100.0 4e-100 X-RAY
2006-02-28 VAL A:121 A:121 17.0 0.11 H -71.9 -35.9 17.0 0.11 0.0 HOH
3.779
CG2
O
1yzi 1 P69905 100.0 4e-100 X-RAY
2005-03-15 VAL A:121 A:121 24.0 0.155 H -76.6 -37.9 24.0 0.155 0.0 MBN
MBN
MBN
HOH
8.439
3.841
8.542
4.357
CG1
CG1
O
CG2
C4
C2
C
O
2d5z 1 P69905 100.0 4e-100 X-RAY
2006-03-07 VAL A:121 A:121 16.0 0.103 H -73.6 -40.4 16.0 0.103 0.0 HOH
3.785
CG2
O
VAL C:121 C:121 15.0 0.097 H -73.5 -37.8 15.0 0.097 0.0 HOH
3.453
CG2
O
2d60 1 P69905 100.0 4e-100 X-RAY
2006-03-07 VAL A:121 A:121 15.0 0.097 H -64.2 -42.9 15.0 0.097 0.0 HOH
3.754
CG2
O
VAL C:121 C:121 14.0 0.09 H -70.1 -38.6 14.0 0.09 0.0 HOH
4.146
CG2
O
2dn1 1 P69905 100.0 4e-100 X-RAY
2006-05-09 VAL A:121 A:121 10.0 0.065 H -71.5 -37.8 10.0 0.065 0.0 MBN
MBN
HOH
9.601
7.642
3.651
O
CG1
CG2
C
C
O
2dn2 1 P69905 100.0 4e-100 X-RAY
2006-05-09 VAL A:121 A:121 14.0 0.09 H -71.6 -39.4 14.0 0.09 0.0 HOH
4.940
N
O
VAL C:121 C:121 15.0 0.097 H -69.4 -38.1 15.0 0.097 0.0 HOH
4.259
CG2
O
2dn3 1 P69905 100.0 4e-100 X-RAY
2006-05-09 VAL A:121 A:121 18.0 0.116 H -71.3 -38.2 18.0 0.116 0.0 HOH
3.375
CG2
O
2dxm 1 P69905 100.0 4e-100 NEUTRON DIFFRACTION
2007-12-04 VAL A:121 A:121 16.0 0.103 H -84.7 -31.1 16.0 0.103 0.0
VAL C:121 C:121 16.0 0.103 H -64.1 -35.8 16.0 0.103 0.0
2hbc 1 P69905 100.0 4e-100 X-RAY
1995-02-07 VAL A:121 A:121 16.0 0.103 H -70.3 -33.2 16.0 0.103 0.0 HOH
4.956
N
O
2hbd 1 P69905 100.0 4e-100 X-RAY
1995-02-07 VAL A:121 A:121 14.0 0.09 H -67.8 -35.4 14.0 0.09 0.0 HOH
7.913
N
O
2hbe 1 P69905 100.0 4e-100 X-RAY
1995-02-07 VAL A:121 A:121 14.0 0.09 H -73.6 -38.9 14.0 0.09 0.0 HOH
6.029
N
O
2hbf 1 P69905 100.0 4e-100 X-RAY
1995-02-07 VAL A:121 A:121 13.0 0.084 H -66.0 -38.2 13.0 0.084 0.0 HOH
7.877
N
O
2hbs 1 P69905 100.0 4e-100 X-RAY
1997-07-23 VAL A:121 A:121 16.0 0.103 H -70.3 -40.9 16.0 0.103 0.0 HOH
5.047
N
O
VAL C:121 C:121 14.0 0.09 H -63.9 -36.4 14.0 0.09 0.0 HOH
5.088
N
O
VAL E:121 E:121 16.0 0.103 H -65.8 -39.6 NA NA NA
VAL G:121 G:121 13.0 0.084 H -66.0 -37.0 NA NA NA
2hco 1 P69905 100.0 4e-100 X-RAY
1979-08-26 VAL A:121 A:121 16.0 0.103 H -76.9 -28.9 16.0 0.103 0.0
2hhb 1 P01922 100.0 4e-100 X-RAY
1984-07-18 VAL A:121 A:121 18.0 0.116 H -74.5 -40.8 18.0 0.116 0.0 HOH
3.497
CG2
O
VAL C:121 C:121 15.0 0.097 H -71.5 -39.8 15.0 0.097 0.0 HOH
4.217
CG2
O
2hhd 1 P01922 100.0 4e-100 X-RAY
1995-01-26 VAL A:121 A:121 16.0 0.103 H -58.2 -40.1 16.0 0.103 0.0 HOH
3.675
CG2
O
VAL C:121 C:121 16.0 0.103 H -76.1 -29.2 16.0 0.103 0.0 HOH
3.339
CG2
O
2hhe 1 P69905 100.0 4e-100 X-RAY
1995-01-26 VAL A:121 A:121 17.0 0.11 H -87.3 -42.4 17.0 0.11 0.0 HOH
4.056
CG2
O
VAL C:121 C:121 15.0 0.097 H -78.5 -30.8 15.0 0.097 0.0 HOH
3.456
CG2
O
2m6z 1 P69905 100.0 4e-100 NMR
2013-09-18 VAL A:121 A:121 25.0 0.161 I -89.4 -41.5 25.0 0.161 0.0
VAL C:121 C:121 26.0 0.168 I -89.3 -41.4 26.0 0.168 0.0
2w6v 1 P69905 100.0 4e-100 X-RAY
2009-04-28 VAL A:121 A:121 16.0 0.103 H -69.9 -43.8 16.0 0.103 0.0 XE
HOH
8.872
3.549
O
CG2
XE
O
VAL C:121 C:121 3.0 0.019 H -71.2 -40.2 3.0 0.019 0.0 SO4
XE
HOH
8.455
8.761
3.770
CG1
O
CG2
O1
XE
O
2yrs 1 P69905 100.0 4e-100 X-RAY
2008-03-11 VAL A:121 A:121 15.0 0.097 H -80.1 -34.1 15.0 0.097 0.0 HOH
4.787
N
O
VAL C:121 C:121 15.0 0.097 H -75.3 -35.7 15.0 0.097 0.0 HOH
4.724
N
O
VAL E:121 I:121 14.0 0.09 H -63.9 -42.1 NA NA NA
VAL G:121 M:121 14.0 0.09 H -80.4 -43.7 NA NA NA
3b75 1 P69905 100.0 4e-100 X-RAY
2008-10-14 VAL A:121 A:121 15.0 0.097 H -80.5 -47.2 15.0 0.097 0.0 HOH
3.416
CG2
O
VAL C:121 C:121 12.0 0.077 H -68.8 -40.9 12.0 0.077 0.0 HOH
3.952
CG2
O
VAL E:121 E:121 14.0 0.09 H -71.0 -55.4 NA NA NA
VAL G:121 G:121 13.0 0.084 H -77.9 -44.0 NA NA NA
VAL I:121 S:121 13.0 0.084 H -78.9 -43.3 NA NA NA
3d17 1 P69905 100.0 4e-100 X-RAY
2008-06-03 VAL A:121 A:121 21.0 0.135 H -66.1 -48.9 21.0 0.135 0.0 MBN
HOH
8.326
8.263
CG1
CG2
C
O
VAL C:121 C:121 18.0 0.116 H -66.0 -48.5 18.0 0.116 0.0 HOH
9.997
N
O
3d7o 1 P69905 100.0 4e-100 X-RAY
2009-05-05 VAL A:121 A:121 15.0 0.097 H -71.6 -39.8 15.0 0.097 0.0 MBN
HOH
8.331
3.618
CG1
CG2
C3
O
3dut 1 P69905 100.0 4e-100 X-RAY
2009-08-04 VAL A:121 A:121 14.0 0.09 H -71.4 -40.1 14.0 0.09 0.0 PO4
HOH
8.913
3.967
N
CG2
O3
O
VAL C:121 C:121 3.0 0.019 H -72.3 -39.9 3.0 0.019 0.0 PO4
HOH
8.612
4.034
CG1
CG2
O4
O
3hhb 1 P01922 100.0 4e-100 X-RAY
1984-07-18 VAL A:121 A:121 16.0 0.103 H -74.7 -37.9 16.0 0.103 0.0 HOH
4.854
N
O
VAL C:121 C:121 16.0 0.103 H -74.7 -37.9 16.0 0.103 0.0
3hxn 1 P69905 100.0 4e-100 X-RAY
2010-06-30 VAL A:121 A:121 16.0 0.103 H -62.3 -38.2 16.0 0.103 0.0 HOH
3.465
CG2
O
VAL C:121 C:121 13.0 0.084 H -71.4 -30.1 13.0 0.084 0.0 HOH
4.743
N
O
3ic0 1 P69905 100.0 4e-100 X-RAY
2009-07-28 VAL A:121 A:121 13.0 0.084 H -68.9 -41.3 13.0 0.084 0.0 B77
HOH
9.503
3.688
O
CG2
C15
O
VAL C:121 C:121 17.0 0.11 H -62.6 -47.3 17.0 0.11 0.0 B77
HOH
9.755
3.752
O
CG2
C15
O
3ic2 1 P69905 100.0 4e-100 X-RAY
2009-07-28 VAL A:121 A:121 8.0 0.052 H -65.1 -40.5 8.0 0.052 0.0 HOH
3.708
CG2
O
VAL C:121 C:121 17.0 0.11 H -63.4 -42.1 17.0 0.11 0.0 HOH
3.794
CG2
O
3kmf 1 P69905 100.0 4e-100 NEUTRON DIFFRACTION
2010-04-21 VAL A:121 A:121 8.0 0.052 H -74.4 -39.2 8.0 0.052 0.0
VAL C:121 E:521 11.0 0.071 H -53.2 -47.7 11.0 0.071 0.0
3nl7 1 P69905 100.0 4e-100 X-RAY
2010-07-14 VAL A:121 A:121 18.0 0.116 H -74.3 -34.4 18.0 0.116 0.0 HOH
2.845
HG23
O
3odq 1 P69905 100.0 4e-100 X-RAY
2010-12-01 VAL A:121 A:121 18.0 0.116 H -67.9 -41.1 18.0 0.116 0.0
VAL C:121 C:121 17.0 0.11 H -56.0 -42.6 17.0 0.11 0.0
3onz 1 P69905 100.0 4e-100 X-RAY
2011-09-07 VAL A:121 A:121 11.0 0.071 H -69.4 -38.0 11.0 0.071 0.0 MBN
MBN
HOH
7.238
9.493
4.876
CG1
O
N
C
C
O
3oo4 1 P69905 100.0 4e-100 X-RAY
2011-09-07 VAL A:121 A:121 7.0 0.045 H -71.6 -38.3 7.0 0.045 0.0 HOH
3.639
CG2
O
3oo5 1 P69905 100.0 4e-100 X-RAY
2011-09-07 VAL A:121 A:121 7.0 0.045 H -73.0 -40.6 7.0 0.045 0.0 HOH
4.917
N
O
3ovu 3 P69905 100.0 4e-100 X-RAY
2011-09-21 VAL C:121 C:121 15.0 0.097 H -69.1 -37.1 15.0 0.097 0.0 HOH
5.910
C
O
3p5q 1 P69905 100.0 4e-100 X-RAY
2011-06-08 VAL A:121 A:121 17.0 0.11 H -70.9 -39.1 17.0 0.11 0.0 MBN
HOH
7.564
3.765
CG1
CG2
C
O
3qjc 1 P69905 100.0 4e-100 X-RAY
2011-02-16 VAL A:121 A:121 18.0 0.116 H -69.8 -34.9 18.0 0.116 0.0 HOH
3.864
CG2
O
3qje 1 P69905 100.0 4e-100 X-RAY
2011-02-16 VAL A:121 A:121 15.0 0.097 H -78.0 -43.9 15.0 0.097 0.0 HOH
3.820
CG2
O
VAL C:121 C:121 13.0 0.084 H -73.2 -37.5 13.0 0.084 0.0 HOH
3.461
CG2
O
3r5i 1 P69905 100.0 4e-100 X-RAY
2011-04-06 VAL A:121 A:121 8.0 0.052 H -73.2 -37.7 8.0 0.052 0.0 HOH
3.635
CG2
O
VAL C:121 C:121 19.0 0.123 H -63.6 -42.8 19.0 0.123 0.0 HOH
3.643
CG2
O
3s48 2 P69905 100.0 4e-100 X-RAY
2012-05-23 VAL B:121 D:121 14.0 0.09 H -69.8 -38.7 14.0 0.09 0.0
VAL D:121 C:121 15.0 0.097 H -69.2 -39.6 NA NA NA
3s65 1 P69905 100.0 4e-100 X-RAY
2011-08-03 VAL A:121 A:121 14.0 0.09 H -69.7 -36.5 14.0 0.09 0.0 HOH
7.033
N
O
VAL C:121 C:121 18.0 0.116 H -65.6 -47.8 18.0 0.116 0.0 HOH
4.109
CG2
O
3s66 1 P69905 100.0 4e-100 X-RAY
2011-08-03 VAL A:121 A:121 16.0 0.103 H -71.5 -37.4 16.0 0.103 0.0 HOH
3.379
CG2
O
3szk 1 P69905 100.0 4e-100 X-RAY
2011-09-14 VAL A:121 D:121 13.0 0.084 H -67.7 -37.1 13.0 0.084 0.0
VAL E:121 A:121 16.0 0.103 H -64.8 -41.8 NA NA NA
3wcp 1 P69905 100.0 4e-100 X-RAY
2013-06-26 VAL A:121 A:121 17.0 0.11 H -64.4 -35.6 17.0 0.11 0.0 HOH
4.535
N
O
VAL C:121 C:121 13.0 0.084 H -73.9 -40.3 13.0 0.084 0.0 HOH
4.004
CG2
O
3whm 1 P69905 100.0 4e-100 X-RAY
2014-10-15 VAL A:121 A:121 20.0 0.129 H -69.4 -38.7 20.0 0.129 0.0 HOH
3.715
CG2
O
VAL C:121 E:121 15.0 0.097 H -71.4 -40.0 15.0 0.097 0.0 HOH
3.701
CG2
O
4fc3 1 P69905 100.0 4e-100 X-RAY
2013-05-29 VAL A:121 A:121 17.0 0.11 H -64.6 -44.3 17.0 0.11 0.0 HOH
4.945
N
O
4hhb 1 P69905 100.0 4e-100 X-RAY
1984-07-17 VAL A:121 A:121 17.0 0.11 H -72.4 -46.5 17.0 0.11 0.0 HOH
3.525
CG2
O
VAL C:121 C:121 14.0 0.09 H -60.6 -48.5 14.0 0.09 0.0 HOH
4.168
CG2
O
4ij2 1 P69905 100.0 4e-100 X-RAY
2013-12-25 VAL A:121 A:121 12.0 0.077 H -75.1 -36.4 12.0 0.077 0.0
VAL C:121 C:121 11.0 0.071 H -75.1 -36.5 11.0 0.071 0.0
4l7y 1 P69905 100.0 4e-100 X-RAY
2013-07-03 VAL A:121 A:121 16.0 0.103 H -69.0 -37.1 16.0 0.103 0.0 HOH
3.642
CG2
O
VAL C:121 C:121 13.0 0.084 H -68.0 -38.8 13.0 0.084 0.0 HOH
3.722
CG2
O
4m4a 1 P69905 100.0 4e-100 X-RAY
2014-07-16 VAL A:121 A:121 17.0 0.11 H -72.3 -36.8 17.0 0.11 0.0 HOH
3.706
CG2
O
4m4b 1 P69905 100.0 4e-100 X-RAY
2014-07-16 VAL A:121 A:121 16.0 0.103 H -68.7 -38.6 16.0 0.103 0.0 GOL
HOH
9.511
3.571
O
CG2
O1
O
4mqg 1 P69905 100.0 4e-100 X-RAY
2013-10-02 VAL A:121 A:121 16.0 0.103 H -70.5 -32.8 16.0 0.103 0.0 HOH
3.700
CG2
O
4mqj 1 P69905 100.0 4e-100 X-RAY
2013-10-02 VAL A:121 A:121 18.0 0.116 H -73.4 -39.9 18.0 0.116 0.0 HOH
3.487
CG2
O
VAL C:121 G:121 16.0 0.103 H -65.8 -39.2 16.0 0.103 0.0 HOH
3.314
CG2
O
VAL E:121 C:121 18.0 0.116 H -67.0 -40.9 NA NA NA
VAL G:121 E:121 17.0 0.11 H -71.2 -39.7 NA NA NA
4mqk 1 P69905 100.0 4e-100 X-RAY
2013-10-30 VAL A:121 A:121 18.0 0.116 H -63.1 -38.4 18.0 0.116 0.0 HOH
4.689
N
O
VAL C:121 C:121 21.0 0.135 H -61.4 -42.5 NA NA NA
VAL E:121 E:121 16.0 0.103 H -70.3 -38.3 16.0 0.103 0.0 HOH
4.698
N
O
VAL G:121 G:121 16.0 0.103 H -65.2 -39.6 NA NA NA
4n7n 1 P69905 100.0 4e-100 X-RAY
2014-04-02 VAL A:121 A:121 6.0 0.039 H -81.5 -49.9 6.0 0.039 0.0
VAL C:121 C:121 12.0 0.077 H -70.7 -60.0 12.0 0.077 0.0
VAL E:121 E:121 10.0 0.065 H -76.7 -42.5 NA NA NA
VAL G:121 G:121 15.0 0.097 H -69.0 -60.8 NA NA NA
VAL I:121 I:121 17.0 0.11 H -51.8 -28.9 NA NA NA
VAL K:121 K:121 10.0 0.065 H -70.7 -31.3 NA NA NA
4n7o 1 P69905 100.0 4e-100 X-RAY
2014-04-02 VAL A:121 A:121 13.0 0.084 H -84.3 -30.9 13.0 0.084 0.0
VAL C:121 C:121 13.0 0.084 H -66.5 -49.8 13.0 0.084 0.0
VAL E:121 E:121 18.0 0.116 H -57.7 -37.6 NA NA NA
VAL G:121 G:121 17.0 0.11 H -68.9 -46.1 NA NA NA
VAL I:121 I:121 16.0 0.103 H -66.6 -46.5 NA NA NA
VAL K:121 K:121 16.0 0.103 H -55.1 -58.3 NA NA NA
4n7p 1 P69905 100.0 4e-100 X-RAY
2014-04-02 VAL A:121 A:121 7.0 0.045 H -75.6 -38.3 7.0 0.045 0.0
VAL C:121 C:121 13.0 0.084 H -79.6 -42.9 13.0 0.084 0.0
VAL E:121 E:121 9.0 0.058 H -60.5 -54.8 NA NA NA
VAL G:121 G:121 18.0 0.116 H -73.9 -35.2 NA NA NA
VAL I:121 I:121 13.0 0.084 H -71.1 -47.9 NA NA NA
VAL K:121 K:121 14.0 0.09 H -75.3 -16.8 NA NA NA
4n8t 1 P69905 100.0 4e-100 X-RAY
2014-10-08 VAL A:121 A:121 14.0 0.09 H -74.8 -37.8 14.0 0.09 0.0 MBN
MBN
HOH
7.709
9.295
3.683
CG1
O
CG2
C
C
O
4ni0 1 P69905 100.0 4e-100 X-RAY
2014-08-20 VAL A:121 A:121 23.0 0.148 H -62.2 -46.8 23.0 0.148 0.0 2P3
MBN
MBN
MBN
2P3
PO4
HOH
9.609
3.823
8.383
8.499
8.988
9.636
4.176
O
CG2
O
CG1
O
N
CG2
C14
C6
C4
C4
S1
O1
O
4ni1 1 P69905 100.0 4e-100 X-RAY
2014-09-17 VAL A:121 A:121 13.0 0.084 H -65.9 -38.2 13.0 0.084 0.0 MBN
MBN
2JX
HOH
9.180
7.401
9.323
3.471
O
CG1
O
CG2
C
C
S1
O
4rol 1 P69905 100.0 4e-100 X-RAY
2015-05-20 VAL A:121 A:121 14.0 0.09 H -69.5 -37.6 14.0 0.09 0.0 HOH
3.375
CG2
O
VAL C:121 C:121 20.0 0.129 H -69.3 -35.4 20.0 0.129 0.0 HOH
3.423
CG2
O
4rom 1 P69905 100.0 4e-100 X-RAY
2015-05-20 VAL A:121 A:121 17.0 0.11 H -68.4 -39.4 17.0 0.11 0.0 HOH
4.010
CG2
O
VAL C:121 C:121 19.0 0.123 H -69.5 -34.0 19.0 0.123 0.0 HOH
4.835
N
O
4wjg 1 P69905 100.0 4e-100 X-RAY
2014-11-26 VAL A:121 A:121 13.0 0.084 H -77.1 -37.7 13.0 0.084 0.0
VAL F:121 F:121 11.0 0.071 H -78.2 -36.5 11.0 0.071 0.0
VAL K:121 K:121 12.0 0.077 H -75.8 -38.8 NA NA NA
VAL P:121 P:121 13.0 0.084 H -76.0 -37.7 NA NA NA
VAL U:121 U:121 12.0 0.077 H -72.6 -39.8 NA NA NA
VAL Z:121 Z:121 13.0 0.084 H -75.0 -38.1 NA NA NA
4x0l 1 P69905 100.0 4e-100 X-RAY
2014-12-24 VAL A:121 A:122 21.0 0.135 H -69.9 -37.2 21.0 0.135 0.0 HOH
3.613
CG2
O
4xs0 1 P69905 100.0 4e-100 X-RAY
2015-06-03 VAL A:121 A:121 16.0 0.103 H -65.8 -40.8 16.0 0.103 0.0
5e29 1 P69905 100.0 4e-100 X-RAY
2015-10-14 VAL A:121 A:121 17.0 0.11 H -67.2 -41.7 17.0 0.11 0.0 HOH
3.451
CG2
O
VAL C:121 C:121 12.0 0.077 H -66.4 -36.7 12.0 0.077 0.0 HOH
3.752
CG2
O
5e6e 1 P69905 100.0 4e-100 X-RAY
2015-10-28 VAL A:121 A:121 10.0 0.065 H -70.8 -32.7 10.0 0.065 0.0 MBN
HOH
8.468
3.579
CG1
CG2
C5
O
5e83 1 P69905 100.0 4e-100 X-RAY
2016-07-20 VAL A:121 A:121 16.0 0.103 H -72.0 -40.1 16.0 0.103 0.0 UNL
HOH
9.301
3.276
N
CG2
C2
O
VAL C:121 C:121 18.0 0.116 H -71.5 -41.7 18.0 0.116 0.0 HOH
4.263
CG2
O
5ee4 2 P69905 100.0 4e-100 X-RAY
2015-11-04 VAL C:121 C:121 13.0 0.084 H -74.1 -37.3 13.0 0.084 0.0 HOH
3.985
CG2
O
VAL E:121 E:121 17.0 0.11 H -75.8 -35.5 NA NA NA
5hu6 1 P69905 100.0 4e-100 X-RAY
2016-03-02 VAL A:121 A:122 6.0 0.039 H -72.2 -35.4 6.0 0.039 0.0
5hy8 1 P69905 100.0 4e-100 X-RAY
2017-02-01 VAL A:121 A:121 17.0 0.11 H -69.0 -44.5 NA NA NA
VAL C:121 C:121 17.0 0.11 H -66.4 -44.5 NA NA NA
VAL E:121 E:121 17.0 0.11 H -70.3 -43.1 17.0 0.11 0.0 HOH
6.441
N
O
VAL G:121 G:121 17.0 0.11 H -69.3 -44.9 17.0 0.11 0.0 HOH
8.184
CG2
O
VAL I:121 S:121 18.0 0.116 H -67.5 -44.8 NA NA NA
5jdo 3 P69905 100.0 4e-100 X-RAY
2016-04-27 VAL C:121 C:122 16.0 0.103 H -79.1 -39.6 16.0 0.103 0.0
5kdq 1 P69905 100.0 4e-100 X-RAY
2016-06-22 VAL A:121 A:121 16.0 0.103 H -76.8 -36.7 16.0 0.103 0.0 HOH
4.472
CG2
O
VAL C:121 C:121 15.0 0.097 H -76.2 -33.9 15.0 0.097 0.0 HOH
3.440
CG2
O
5ksi 1 P69905 100.0 4e-100 X-RAY
2017-07-26 VAL A:121 A:121 15.0 0.097 H -68.8 -38.6 15.0 0.097 0.0 HOH
3.719
CG2
O
VAL C:121 C:121 12.0 0.077 H -67.0 -41.3 12.0 0.077 0.0 HOH
3.961
CG2
O
5ksj 1 P69905 100.0 4e-100 X-RAY
2017-07-26 VAL A:121 A:121 13.0 0.084 H -51.6 -37.1 13.0 0.084 0.0 HOH
3.721
CG2
O
VAL C:121 C:121 11.0 0.071 H -59.3 -47.2 11.0 0.071 0.0 HOH
4.798
CG2
O
5ni1 1 P69905 100.0 4e-100 EM
2017-04-12 VAL A:121 A:121 13.0 0.084 H -71.2 -44.0 13.0 0.084 0.0 HOH
8.046
O
O
VAL C:121 C:121 13.0 0.084 H -71.2 -44.0 13.0 0.084 0.0 HOH
8.064
O
O
5u3i 1 P69905 100.0 4e-100 X-RAY
2017-02-22 VAL A:121 A:121 11.0 0.071 H -63.9 -42.0 11.0 0.071 0.0 HOH
9.045
O
O
VAL C:121 C:121 20.0 0.129 H -75.0 -36.6 20.0 0.129 0.0 HOH
8.874
O
O
5ucu 1 P69905 100.0 4e-100 X-RAY
2017-03-01 VAL A:121 A:121 16.0 0.103 H -71.1 -38.2 16.0 0.103 0.0 HOH
3.770
CG2
O
5ufj 1 P69905 100.0 4e-100 X-RAY
2017-02-22 VAL A:121 A:121 15.0 0.097 H -70.2 -36.6 15.0 0.097 0.0 HOH
7.529
O
O
VAL C:121 C:121 17.0 0.11 H -71.5 -26.9 17.0 0.11 0.0 HOH
9.074
O
O
5urc 1 P69905 100.0 4e-100 X-RAY
2017-03-15 VAL A:121 A:121 17.0 0.11 H -65.5 -38.9 17.0 0.11 0.0 HOH
3.234
CG2
O
VAL C:121 C:121 18.0 0.116 H -70.1 -37.2 18.0 0.116 0.0 HOH