Variant

Genome Chromosome Position VCF ID Ref Alt mRNA Change mRNA Info
GRCh37 chr21 33039669 . T A CCDS33536.1:NM_000454.4:c.338aTc>aAc_NP_000445.1:p.113I>N Homo sapiens superoxide dismutase 1, soluble (SOD1), 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)
4b3e 1 P00441 100.0 7e-110 X-RAY
2012-09-26 ILE A:113 A:112 0.0 0.0 -103.3 -4.4 0.0 0.0 0.0 HOH
4.911
N
O
ILE B:113 B:112 0.0 0.0 -101.2 -7.8 NA NA NA
ILE C:113 C:112 0.0 0.0 -101.0 -1.6 NA NA NA
ILE D:113 D:112 0.0 0.0 -106.8 0.2 NA NA NA
ILE E:113 E:112 0.0 0.0 -105.1 -1.4 NA NA NA
ILE F:113 F:112 0.0 0.0 -104.4 -3.0 0.0 0.0 0.0 HOH
4.867
N
O
ILE G:113 G:112 0.0 0.0 -104.9 -3.7 NA NA NA
ILE H:113 H:112 0.0 0.0 -104.5 -3.9 NA NA NA
ILE I:113 I:112 0.0 0.0 -105.3 0.1 NA NA NA
ILE J:113 J:112 0.0 0.0 -105.8 -2.5 NA NA NA
5yul 1 P00441 100.0 7e-110 X-RAY
2018-11-21 ILE A:113 A:112 0.0 0.0 -105.7 0.9 0.0 0.0 0.0 S4P
HOH
5.380
4.889
N
N
S1
O
ILE B:113 H:112 0.0 0.0 -103.5 0.2 0.0 0.0 0.0 S4P
HOH
5.361
4.838
N
N
S4
O
ILE C:113 B:112 0.0 0.0 -109.5 -1.3 NA NA NA
ILE D:113 C:112 0.0 0.0 -107.0 1.0 NA NA NA
ILE E:113 D:112 0.0 0.0 -108.4 1.2 NA NA NA
ILE F:113 E:112 0.0 0.0 -106.0 0.4 NA NA NA
ILE G:113 F:112 0.0 0.0 -111.7 5.8 NA NA NA
ILE H:113 G:112 0.0 0.0 -110.2 -2.3 NA NA NA
ILE I:113 I:112 0.0 0.0 -108.2 -0.6 NA NA NA
ILE J:113 J:112 0.0 0.0 -109.1 0.0 NA NA NA
6a9o 1 P00441 100.0 7e-110 X-RAY
2019-07-17 ILE A:113 A:112 0.0 0.0 -92.7 -5.9 0.0 0.0 0.0 S4P
HOH
5.045
4.890
N
N
S4
O
ILE B:113 B:112 0.0 0.0 -103.2 0.8 0.0 0.0 0.0 S4P
HOH
4.458
5.019
N
N
S1
O
ILE C:113 C:112 0.0 0.0 -94.4 -9.9 NA NA NA
ILE D:113 D:112 0.0 0.0 -109.7 1.9 NA NA NA
ILE E:113 E:112 0.0 0.0 -96.2 -0.3 NA NA NA
ILE F:113 F:112 0.0 0.0 -103.9 -0.4 NA NA NA
ILE G:113 G:112 0.0 0.0 -90.1 -19.1 NA NA NA
ILE H:113 H:112 0.0 0.0 -94.8 -5.7 NA NA NA
ILE I:113 I:112 0.0 0.0 -103.8 -3.4 NA NA NA
ILE J:113 J:112 0.0 0.0 -110.1 8.5 NA NA NA
5yto 1 P00441 100.0 9e-110 X-RAY
2018-11-21 ILE A:139 A:112 0.0 0.0 -105.9 0.5 0.0 0.0 0.0 PS5
HOH
6.115
4.876
C
N
S3
O
ILE B:139 B:112 0.0 0.0 -107.1 -3.9 0.0 0.0 0.0 PS5
HOH
5.971
4.041
C
N
S2
O
ILE C:139 C:112 0.0 0.0 -102.6 -4.9 NA NA NA
ILE D:139 D:112 0.0 0.0 -108.9 -1.6 NA NA NA
ILE E:139 E:112 0.0 0.0 -104.9 -2.4 NA NA NA
ILE F:139 F:112 0.0 0.0 -108.5 0.2 NA NA NA
ILE G:139 G:112 0.0 0.0 -110.4 2.5 NA NA NA
ILE H:139 H:112 0.0 0.0 -104.5 -4.2 NA NA NA
ILE I:139 I:112 0.0 0.0 -105.6 -2.0 NA NA NA
ILE J:139 J:112 0.0 0.0 -107.2 -4.3 NA NA NA
5ytu 1 P00441 100.0 9e-110 X-RAY
2018-11-21 ILE A:139 A:112 0.0 0.0 -107.5 1.6 0.0 0.0 0.0 S4P
HOH
4.966
4.981
N
N
S1
O
ILE B:139 H:112 0.0 0.0 -106.0 -0.4 0.0 0.0 0.0 S4P
HOH
5.317
4.849
N
N
S4
O
ILE C:139 B:112 0.0 0.0 -104.5 3.5 NA NA NA
ILE D:139 C:112 0.0 0.0 -103.8 -0.8 NA NA NA
ILE E:139 D:112 0.0 0.0 -104.2 -2.8 NA NA NA
ILE F:139 E:112 0.0 0.0 -104.5 1.2 NA NA NA
ILE G:139 F:112 0.0 0.0 -102.9 -2.4 NA NA NA
ILE H:139 G:112 0.0 0.0 -100.3 -7.4 NA NA NA
ILE I:139 I:112 0.0 0.0 -116.5 -0.4 NA NA NA
ILE J:139 J:112 0.0 0.0 -107.2 -0.4 NA NA NA
2zky 1 P00441 99.35 3e-109 X-RAY
2009-03-24 ILE A:118 A:112 0.0 0.0 -104.8 -2.0 0.0 0.0 0.0 HOH
7.369
N
O
ILE B:118 B:112 0.0 0.0 -110.5 0.8 0.0 0.0 0.0 HOH
7.327
N
O
ILE C:118 C:112 0.0 0.0 -95.5 -6.5 NA NA NA
ILE D:118 D:112 0.0 0.0 -102.9 1.2 NA NA NA
ILE E:118 E:112 0.0 0.0 -104.5 -6.2 NA NA NA
ILE F:118 F:112 0.0 0.0 -106.8 -2.3 NA NA NA
ILE G:118 G:112 0.0 0.0 -100.0 -7.9 NA NA NA
ILE H:118 H:112 0.0 0.0 -96.7 -4.5 NA NA NA
ILE I:118 I:112 0.0 0.0 -98.9 -4.6 NA NA NA
ILE J:118 J:112 0.0 0.0 -101.1 3.5 NA NA NA
6spi 1 P00441 99.35 4e-109 X-RAY
2020-03-18 ILE A:113 A:112 0.0 0.0 -102.2 0.6 0.0 0.0 0.0 LQW
LQW
HOH
5.693
7.096
7.833
N
C
CG2
SE
C
O
ILE B:113 B:112 0.0 0.0 -101.7 1.3 NA NA NA
ILE C:113 C:112 0.0 0.0 -102.4 0.6 NA NA NA
ILE D:113 D:112 0.0 0.0 -102.4 0.9 NA NA NA
ILE E:113 E:112 0.0 0.0 -102.3 0.3 NA NA NA
ILE F:113 F:112 0.0 0.0 -102.4 1.2 NA NA NA
ILE G:113 G:112 0.0 0.0 -101.7 0.4 NA NA NA
ILE H:113 H:112 0.0 0.0 -102.6 0.5 NA NA NA
ILE I:113 I:112 0.0 0.0 -102.3 0.8 NA NA NA
ILE J:113 J:112 0.0 0.0 -101.3 0.8 0.0 0.0 0.0 LQW
LQW
HOH
7.865
5.138
9.218
N
N
CG2
C13
C3
O
ILE K:113 K:112 0.0 0.0 -101.3 0.8 NA NA NA
ILE L:113 L:112 0.0 0.0 -102.0 0.5 NA NA NA
1hl5 1 P00441 100.0 7e-109 X-RAY
2003-05-08 ILE A:112 A:112 0.0 0.0 -108.3 0.3 0.0 0.0 0.0 HOH
5.002
N
O
ILE B:112 B:112 0.0 0.0 -108.4 0.5 NA NA NA
ILE C:112 C:112 0.0 0.0 -107.0 1.7 NA NA NA
ILE D:112 D:112 0.0 0.0 -108.7 -2.7 NA NA NA
ILE E:112 E:112 0.0 0.0 -108.9 2.4 NA NA NA
ILE F:112 F:112 0.0 0.0 -107.5 -0.6 NA NA NA
ILE G:112 G:112 0.0 0.0 -107.4 2.5 NA NA NA
ILE H:112 H:112 0.0 0.0 -107.9 -0.2 0.0 0.0 0.0 HOH
5.045
N
O
ILE I:112 I:112 0.0 0.0 -105.3 0.6 NA NA NA
ILE J:112 J:112 0.0 0.0 -104.2 0.5 NA NA NA
ILE K:112 K:112 0.0 0.0 -108.2 1.4 NA NA NA
ILE L:112 L:112 0.0 0.0 -107.6 1.2 NA NA NA
ILE M:112 M:112 0.0 0.0 -107.4 2.0 NA NA NA
ILE N:112 N:112 0.0 0.0 -102.3 6.7 NA NA NA
ILE O:112 O:112 0.0 0.0 -102.7 -2.5 NA NA NA
ILE P:112 P:112 0.0 0.0 -108.1 5.8 NA NA NA
ILE Q:112 Q:112 0.0 0.0 -105.6 2.1 NA NA NA
ILE R:112 S:112 0.0 0.0 -106.9 0.1 NA NA NA
1pu0 1 P00441 100.0 7e-109 X-RAY
2003-09-09 ILE A:112 A:112 0.0 0.0 -98.8 1.6 0.0 0.0 0.0 HOH
3.699
CG2
O
ILE B:112 B:112 0.0 0.0 -106.9 -1.2 0.0 0.0 0.0 HOH
4.981
N
O
ILE C:112 C:112 0.0 0.0 -104.8 3.9 NA NA NA
ILE D:112 D:112 0.0 0.0 -105.6 -0.8 NA NA NA
ILE E:112 E:112 0.0 0.0 -101.8 3.3 NA NA NA
ILE F:112 F:112 0.0 0.0 -104.6 0.5 NA NA NA
ILE G:112 G:112 0.0 0.0 -106.3 -1.6 NA NA NA
ILE H:112 H:112 0.0 0.0 -97.6 -0.3 NA NA NA
ILE I:112 I:112 0.0 0.0 -111.0 -2.1 NA NA NA
ILE J:112 J:112 0.0 0.0 -109.3 4.0 NA NA NA
2c9s 1 P00441 100.0 7e-109 X-RAY
2005-12-15 ILE A:112 A:112 0.0 0.0 -103.3 -5.4 0.0 0.0 0.0 HOH
3.912
N
O
ILE B:112 F:112 0.0 0.0 -103.5 -9.6 0.0 0.0 0.0 HOH
4.142
N
O
2c9u 1 P00441 100.0 7e-109 X-RAY
2005-12-16 ILE A:112 A:112 0.0 0.0 -104.8 -4.8 0.0 0.0 0.0 HOH
4.046
N
O
ILE B:112 F:112 0.0 0.0 -104.1 -0.4 0.0 0.0 0.0 HOH
3.986
C
O
2c9v 1 P00441 100.0 7e-109 X-RAY
2005-12-20 ILE A:112 A:112 0.0 0.0 -100.0 -3.8 0.0 0.0 0.0 HOH
4.915
C
O
ILE B:112 F:112 0.0 0.0 -102.1 -1.5 0.0 0.0 0.0 HOH
4.006
N
O
2v0a 1 P00441 100.0 7e-109 X-RAY
2007-06-19 ILE A:112 A:112 0.0 0.0 -108.5 -8.0 0.0 0.0 0.0 HOH
4.175
N
O
ILE B:112 F:112 0.0 0.0 -108.5 -3.0 0.0 0.0 0.0 HOH
4.123
N
O
3ecu 1 P00441 100.0 7e-109 X-RAY
2009-05-19 ILE A:112 A:112 0.0 0.0 -106.5 11.6 0.0 0.0 0.0 HOH
4.973
N
O
ILE B:112 B:112 0.0 0.0 -106.0 -0.3 0.0 0.0 0.0 HOH
4.639
N
O
ILE C:112 C:112 0.0 0.0 -104.8 -18.0 NA NA NA
ILE D:112 D:112 0.0 0.0 -110.2 -9.4 NA NA NA
3kh3 1 P00441 100.0 7e-109 X-RAY
2010-08-11 ILE A:112 A:113 0.0 0.0 -89.9 -10.2 0.0 0.0 0.0
ILE B:112 B:113 0.0 0.0 -89.4 -11.5 0.0 0.0 0.0
ILE C:112 C:113 0.0 0.0 -89.9 -11.1 NA NA NA
ILE D:112 D:113 2.0 0.011 -71.5 -21.3 NA NA NA
ILE E:112 E:113 0.0 0.0 -88.9 -10.9 NA NA NA
ILE F:112 F:113 0.0 0.0 -89.1 -10.7 NA NA NA
ILE G:112 G:113 0.0 0.0 -89.3 -8.5 NA NA NA
ILE H:112 H:113 0.0 0.0 -91.6 -6.2 NA NA NA
ILE I:112 I:113 0.0 0.0 -88.6 -11.1 NA NA NA
ILE J:112 J:113 0.0 0.0 -90.1 -8.2 NA NA NA
ILE K:112 K:113 0.0 0.0 -90.1 -10.3 NA NA NA
ILE L:112 L:113 0.0 0.0 -89.9 -11.6 NA NA NA
3kh4 1 P00441 100.0 7e-109 X-RAY
2010-08-11 ILE A:112 A:112 0.0 0.0 -104.9 3.3 0.0 0.0 0.0
ILE B:112 B:112 0.0 0.0 -104.9 4.9 0.0 0.0 0.0
ILE C:112 C:112 0.0 0.0 -104.0 3.6 NA NA NA
ILE D:112 D:112 0.0 0.0 -102.5 3.5 NA NA NA
ILE E:112 E:112 0.0 0.0 -103.5 5.3 NA NA NA
ILE F:112 F:112 0.0 0.0 -106.1 3.4 NA NA NA
3re0 1 P00441 100.0 7e-109 X-RAY
2012-04-25 ILE A:112 A:112 0.0 0.0 -105.6 6.0 0.0 0.0 0.0 CPT
HOH
5.480
9.427
N
CG1
PT1
O
ILE B:112 B:112 0.0 0.0 -100.4 -6.3 0.0 0.0 0.0 CPT
HOH
5.230
6.846
N
N
N1
O
ILE C:112 C:112 0.0 0.0 -100.7 -5.3 NA NA NA
ILE D:112 D:112 0.0 0.0 -109.0 -9.6 NA NA NA
3t5w 1 P00441 100.0 7e-109 X-RAY
2012-08-01 ILE A:112 A:112 0.0 0.0 -108.1 -8.8 0.0 0.0 0.0 HOH
4.822
N
O
ILE B:112 B:112 0.0 0.0 -100.6 3.5 0.0 0.0 0.0 HOH
3.544
CG2
O
ILE C:112 D:112 0.0 0.0 -103.4 -4.9 NA NA NA
ILE D:112 E:112 0.0 0.0 -94.1 -1.6 NA NA NA
ILE E:112 F:112 0.0 0.0 -104.6 -4.4 NA NA NA
ILE F:112 G:112 0.0 0.0 -106.2 0.2 NA NA NA
ILE G:112 H:112 0.0 0.0 -103.4 -12.0 NA NA NA
ILE H:112 I:112 0.0 0.0 -99.3 1.7 NA NA NA
ILE I:112 J:112 0.0 0.0 -103.4 -5.0 NA NA NA
ILE J:112 K:112 0.0 0.0 -98.1 2.0 NA NA NA
ILE K:112 L:112 0.0 0.0 -102.6 -8.3 NA NA NA
ILE L:112 M:112 0.0 0.0 -94.5 1.1 NA NA NA
4ff9 1 P00441 100.0 7e-109 X-RAY
2013-09-04 ILE A:112 A:112 0.0 0.0 -98.9 14.8 0.0 0.0 0.0 CYS
HOH
6.384
6.366
N
N
N
O
ILE B:112 B:112 1.0 NA -80.5 -2.2 1.0 NA NA CYS
HOH
5.798
8.620
N
N
SG
O
5o3y 1 P00441 100.0 7e-109 X-RAY
2018-06-13 ILE A:112 A:112 0.0 0.0 -101.8 -4.1 0.0 0.0 0.0 9JK
9JK
HOH
5.319
7.445
4.083
N
C
N
S01
C04
O
ILE B:112 F:112 0.0 0.0 -104.6 -4.5 0.0 0.0 0.0 9JK
9JK
HOH
7.989
5.348
4.222
C
N
N
C04
S01
O
5o40 1 P00441 100.0 7e-109 X-RAY
2018-06-13 ILE A:112 A:112 0.0 0.0 -101.0 -5.6 0.0 0.0 0.0 9JT
9JT
HOH
5.244
7.491
4.089
N
C
N
SE1
C04
O
ILE B:112 F:112 0.0 0.0 -106.7 -2.4 0.0 0.0 0.0 9JT
9JT
HOH
7.952
5.251
4.115
C
N
N
C04
SE1
O
6ffk 1 P00441 100.0 7e-109 X-RAY
2018-11-28 ILE A:112 A:112 0.0 0.0 -104.9 0.1 0.0 0.0 0.0 D7Z
D7Z
5.289
8.808
N
C
N1
N1
ILE B:112 B:112 0.0 0.0 -99.9 -5.3 0.0 0.0 0.0 D7Z
D7Z
9.258
5.661
C
N
N1
N1
ILE C:112 D:112 0.0 0.0 -106.0 -1.9 NA NA NA
ILE D:112 F:112 0.0 0.0 -99.2 -9.0 NA NA NA
1hl4 1 P00441 100.0 7e-109 X-RAY
2003-05-08 ILE A:113 A:112 0.0 0.0 -99.1 -1.9 0.0 0.0 0.0 HOH
5.141
N
O
ILE B:113 B:112 0.0 0.0 -104.1 -0.7 0.0 0.0 0.0 HOH
7.046
N
O
ILE C:113 C:112 0.0 0.0 -101.3 -10.0 NA NA NA
ILE D:113 D:112 0.0 0.0 -112.4 -5.1 NA NA NA
1spd 1 P00441 100.0 7e-109 X-RAY
1994-04-30 ILE A:113 A:112 0.0 0.0 -107.3 -6.2 0.0 0.0 0.0
ILE B:113 B:112 3.0 0.017 -98.7 7.5 3.0 0.017 0.0
2zkw 1 P00441 99.35 9e-109 X-RAY
2009-03-24 ILE A:118 A:112 0.0 0.0 -102.8 -3.7 0.0 0.0 0.0
ILE B:118 B:112 0.0 0.0 -105.1 0.8 0.0 0.0 0.0 HOH
7.309
N
O
2zkx 1 P00441 99.35 9e-109 X-RAY
2009-03-24 ILE A:118 A:112 0.0 0.0 -107.4 1.1 0.0 0.0 0.0 HOH
9.516
O
O
ILE B:118 B:112 0.0 0.0 -95.3 0.9 0.0 0.0 0.0
ILE C:118 C:112 0.0 0.0 -94.8 3.4 NA NA NA
ILE D:118 D:112 1.0 0.006 -96.8 -11.4 NA NA NA
2nam 1 P00441 100.0 2e-108 NMR
2016-12-14 ILE A:120 A:112 98.0 0.56 I -111.6 -63.2 98.0 0.56 0.0
2wyt 1 P00441 99.35 2e-108 X-RAY
2010-10-27 ILE A:112 A:112 0.0 0.0 -99.4 -5.1 0.0 0.0 0.0 ACT
HOH
7.729
4.934
HG21
N
H1
O
ILE B:112 F:112 0.0 0.0 -101.3 -5.8 0.0 0.0 0.0 HOH
4.863
C
O
2wyz 1 P00441 99.35 2e-108 X-RAY
2010-10-27 ILE A:112 A:112 0.0 0.0 -100.5 -5.7 0.0 0.0 0.0 HOH
5.075
N
O
ILE B:112 F:112 0.0 0.0 -105.9 -2.4 0.0 0.0 0.0 HOH
5.079
N
O
2wz0 1 P00441 99.35 2e-108 X-RAY
2010-12-08 ILE A:112 A:112 0.0 0.0 -103.8 -7.0 0.0 0.0 0.0 HOH
4.969
C
O
ILE B:112 F:112 0.0 0.0 -102.5 -5.9 0.0 0.0 0.0 HOH
4.908
N
O
2wz5 1 P00441 99.35 2e-108 X-RAY
2010-12-08 ILE A:112 A:112 0.0 0.0 -106.0 -3.5 0.0 0.0 0.0 HOH
4.980
N
O
ILE B:112 F:112 0.0 0.0 -106.2 -5.7 0.0 0.0 0.0 HOH
5.014
N
O
1uxl 1 P00441 99.35 3e-108 X-RAY
2004-03-19 ILE A:112 A:112 0.0 0.0 -90.3 -7.9 0.0 0.0 0.0 HOH
3.619
CG2
O
ILE B:112 B:112 0.0 0.0 -79.5 -10.8 NA NA NA
ILE C:112 C:112 0.0 0.0 -96.7 -6.3 NA NA NA
ILE D:112 D:112 0.0 0.0 -99.5 -7.6 NA NA NA
ILE E:112 E:112 0.0 0.0 -102.0 -9.1 NA NA NA
ILE F:112 F:112 0.0 0.0 -101.8 -7.3 0.0 0.0 0.0 HOH
4.613
N
O
ILE G:112 G:112 0.0 0.0 -101.4 -7.2 NA NA NA
ILE H:112 H:112 0.0 0.0 -99.7 -9.0 NA NA NA
ILE I:112 I:112 0.0 0.0 S -77.1 -4.5 NA NA NA
ILE J:112 J:112 0.0 0.0 -101.9 -6.3 NA NA NA
3ecv 1 P00441 99.35 3e-108 X-RAY
2009-05-19 ILE A:112 A:112 0.0 0.0 -102.6 -9.4 0.0 0.0 0.0 HOH
4.758
N
O
ILE B:112 B:112 0.0 0.0 -102.5 0.8 0.0 0.0 0.0 HOH
6.884
N
O
ILE C:112 C:112 0.0 0.0 -100.9 -2.2 NA NA NA
ILE D:112 D:112 0.0 0.0 -112.3 4.3 NA NA NA
4a7g 2 P00441 99.35 3e-108 X-RAY
2012-10-24 ILE B:112 F:112 0.0 0.0 -99.5 -6.3 0.0 0.0 0.0 HOH
4.932
N
O
4a7q 1 P00441 99.35 3e-108 X-RAY
2012-10-24 ILE A:112 A:112 0.0 0.0 -97.8 -11.1 0.0 0.0 0.0 SO4
HOH
9.537
4.324
N
N
O1
O
ILE B:112 F:112 0.0 0.0 -92.6 -13.1 0.0 0.0 0.0 HOH
4.573
C
O
4a7s 1 P00441 99.35 3e-108 X-RAY
2012-12-05 ILE A:112 A:112 0.0 0.0 -96.6 -12.5 0.0 0.0 0.0 ACT
HOH
9.702
4.920
CA
N
O
O
ILE B:112 F:112 0.0 0.0 -93.0 -10.6 0.0 0.0 0.0 HOH
4.748
C
O
4a7t 1 P00441 99.35 3e-108 X-RAY
2012-11-28 ILE A:112 A:112 0.0 0.0 -96.0 -10.5 0.0 0.0 0.0 HOH
4.598
N
O
ILE B:112 F:112 0.0 0.0 -93.9 -11.2 0.0 0.0 0.0 HOH
4.471
N
O
4a7u 1 P00441 99.35 3e-108 X-RAY
2012-11-28 ILE A:112 A:112 0.0 0.0 -97.5 -9.4 0.0 0.0 0.0 ALE
HOH
9.233
4.918
CG2
N
C9
O
ILE B:112 F:112 0.0 0.0 -98.8 -9.0 0.0 0.0 0.0 HOH
4.660
N
O
4a7v 1 P00441 99.35 3e-108 X-RAY
2012-11-28 ILE A:112 A:112 0.0 0.0 -97.0 -11.7 0.0 0.0 0.0 HOH
4.921
N
O
ILE B:112 F:112 0.0 0.0 -99.1 -7.7 0.0 0.0 0.0 HOH
4.639
N
O
2wz6 1 P00441 99.35 3e-108 X-RAY
2010-12-08 ILE A:112 A:112 0.0 0.0 -103.6 -10.2 0.0 0.0 0.0 HOH
4.860
N
O
ILE B:112 F:112 0.0 0.0 -102.6 -6.7 0.0 0.0 0.0 HOH
4.914
N
O
3gzp 1 P00441 99.35 3e-108 X-RAY
2009-10-13 ILE A:112 A:112 0.0 0.0 -118.5 0.9 0.0 0.0 0.0
ILE B:112 B:112 0.0 0.0 -118.7 1.1 0.0 0.0 0.0
ILE C:112 C:112 0.0 0.0 -118.3 -0.0 NA NA NA
ILE D:112 D:112 0.0 0.0 -117.8 0.6 NA NA NA
1ozu 1 P00441 99.35 3e-108 X-RAY
2003-05-27 ILE A:112 A:112 0.0 0.0 -103.2 -6.2 0.0 0.0 0.0 HOH
5.006
N
O
ILE B:112 B:312 0.0 0.0 -105.4 -4.1 0.0 0.0 0.0 HOH
4.951
C
O
2wko 1 P00441 99.35 3e-108 X-RAY
2009-11-24 ILE A:113 A:112 0.0 0.0 -107.6 -0.5 0.0 0.0 0.0 HOH
4.215
C
O
2wko 2 P00441 99.35 3e-108 X-RAY
2009-11-24 ILE B:113 F:112 0.0 0.0 -110.5 -0.5 0.0 0.0 0.0 HOH
4.962
N
O
3gzo 1 P00441 99.35 3e-108 X-RAY
2009-10-13 ILE A:113 A:112 0.0 0.0 -98.4 -3.5 0.0 0.0 0.0 HOH
4.905
N
O
ILE B:113 B:112 0.0 0.0 -107.0 -2.8 0.0 0.0 0.0 HOH
4.656
N
O
ILE C:113 C:112 0.0 0.0 -99.0 -7.2 NA NA NA
ILE D:113 D:112 0.0 0.0 -101.9 -4.6 NA NA NA
ILE E:113 E:112 0.0 0.0 -105.3 1.8 NA NA NA
ILE F:113 F:112 0.0 0.0 -102.6 -5.6 NA NA NA
ILE G:113 G:112 0.0 0.0 -100.9 -1.3 NA NA NA
ILE H:113 H:112 1.0 0.006 S -76.4 -15.5 NA NA NA
ILE I:113 I:112 0.0 0.0 -109.0 -3.0 NA NA NA
ILE J:113 J:112 0.0 0.0 -110.3 -1.3 NA NA NA
1uxm 1 P00441 99.35 4e-108 X-RAY
2004-03-19 ILE A:112 A:112 0.0 0.0 -105.3 -0.2 0.0 0.0 0.0 HOH
4.984
N
O
ILE B:112 B:112 0.0 0.0 -108.7 5.5 0.0 0.0 0.0 HOH
4.970
N
O
ILE C:112 C:112 0.0 0.0 -103.5 2.0 NA NA NA
ILE D:112 D:112 0.0 0.0 -109.0 0.9 NA NA NA
ILE E:112 E:112 0.0 0.0 -104.6 2.3 NA NA NA
ILE F:112 F:112 0.0 0.0 -110.6 -0.7 NA NA NA
ILE G:112 G:112 0.0 0.0 -128.1 1.8 NA NA NA
ILE H:112 H:112 0.0 0.0 -103.6 1.3 NA NA NA
ILE I:112 I:112 0.0 0.0 -110.6 -5.8 NA NA NA
ILE J:112 J:112 0.0 0.0 -109.8 0.7 NA NA NA
ILE K:112 K:112 0.0 0.0 -101.0 9.6 NA NA NA
ILE L:112 L:112 0.0 0.0 -106.3 3.9 NA NA NA
6spa 1 P00441 99.35 4e-108 X-RAY
2020-03-18 ILE A:112 A:112 0.0 0.0 -95.6 -1.2 0.0 0.0 0.0 DMS
HOH
9.400
3.677
N
CG2
C2
O
ILE B:112 C:112 0.0 0.0 -95.1 2.0 0.0 0.0 0.0 DMS
HOH
7.979
3.551
N
CG2
C2
O
ILE C:112 E:112 0.0 0.0 -96.4 -1.7 NA NA NA
ILE D:112 G:112 0.0 0.0 -103.2 -0.1 NA NA NA
ILE E:112 J:112 0.0 0.0 -91.3 -2.0 NA NA NA
ILE F:112 L:112 0.0 0.0 -107.9 1.8 NA NA NA
6sph 1 P00441 99.35 4e-108 X-RAY
2020-03-18 ILE A:112 A:112 0.0 0.0 -106.0 1.3 0.0 0.0 0.0 9JT
9JT
HOH
5.798
8.265
5.097
N
C
N
SE1
C04
O
ILE B:112 C:112 0.0 0.0 -103.1 5.7 0.0 0.0 0.0 9JT
9JT
HOH
8.003
5.670
3.938
C
N
N
C04
C03
O
ILE C:112 E:112 0.0 0.0 -104.4 -2.1 NA NA NA
ILE D:112 G:112 0.0 0.0 -104.5 2.6 NA NA NA
ILE E:112 J:112 0.0 0.0 -104.1 3.2 NA NA NA
ILE F:112 L:112 0.0 0.0 -102.7 2.8 NA NA NA
6spj 1 P00441 99.35 4e-108 X-RAY
2020-03-18 ILE A:112 A:112 0.0 0.0 -105.9 -2.6 0.0 0.0 0.0 LR2
LR2
HOH
5.579
7.972
4.000
N
C
C
SE1
C10
O
ILE B:112 B:112 0.0 0.0 -106.8 1.9 0.0 0.0 0.0 LR2
LR2
HOH
8.346
5.652
4.097
C
N
N
C10
SE1
O
ILE C:112 E:112 0.0 0.0 -106.7 -2.7 NA NA NA
ILE D:112 F:112 0.0 0.0 -107.8 3.2 NA NA NA
ILE E:112 I:112 0.0 0.0 -106.2 -1.0 NA NA NA
ILE F:112 J:112 0.0 0.0 -104.5 -2.0 NA NA NA
6spk 1 P00441 99.35 4e-108 X-RAY
2020-03-18 ILE A:112 A:112 0.0 0.0 -107.7 -1.1 0.0 0.0 0.0 LQN
LQN
HOH
5.624
8.513
9.793
N
C
N
C20
C19
O
ILE B:112 B:112 0.0 0.0 -107.8 -1.0 0.0 0.0 0.0 LQN
LQN
HOH
8.714
5.971
9.932
C
N
CG2
C19
C20
O
ILE C:112 E:112 0.0 0.0 -107.8 -1.1 NA NA NA
ILE D:112 F:112 0.0 0.0 -107.6 -1.2 NA NA NA
ILE E:112 I:112 0.0 0.0 -107.8 -1.4 NA NA NA
ILE F:112 J:112 0.0 0.0 -107.7 -1.3 NA NA NA
6z3v 1 P00441 99.35 4e-108 X-RAY
2020-09-16 ILE A:112 AAA:112 0.0 0.0 -101.3 -4.9 0.0 0.0 0.0 Q6H
Q6H
HOH
5.550
7.953
3.914
N
C
C
SE
C2
O
ILE B:112 BBB:112 0.0 0.0 -104.3 -2.6 0.0 0.0 0.0 Q6H
Q6H
HOH
8.293
5.573
4.017
C
N
C
C2
SE
O
6z4g 1 P00441 99.35 4e-108 X-RAY
2020-09-16 ILE A:112 AAA:112 0.0 0.0 -103.2 -6.9 0.0 0.0 0.0 9JT
9JT
HOH
5.468
7.766
3.929
N
C
C
SE1
C04
O
ILE B:112 BBB:112 0.0 0.0 -100.8 -3.4 0.0 0.0 0.0 9JT
9JT
HOH
7.980
5.454
3.917
C
N
C
C04
SE1
O
6z4h 1 P00441 99.35 4e-108 X-RAY
2020-09-16 ILE A:112 AAA:112 0.0 0.0 -100.3 -5.3 0.0 0.0 0.0 LQW
LQW
HOH
5.472
6.827
5.099
N
C
N
SE
C
O
ILE B:112 BBB:112 0.0 0.0 -101.1 -3.0 0.0 0.0 0.0 LQW
LQW
HOH
7.528
4.999
5.117
N
N
N
C7
C3
O
6z4i 1 P00441 99.35 4e-108 X-RAY
2020-09-16 ILE A:112 AAA:112 0.0 0.0 -95.1 -2.7 0.0 0.0 0.0 Q85
Q85
Q85
HOH
6.146
5.674
6.842
5.489
N
N
C
N
SE1
SE1
C9
O
ILE B:112 FFF:112 0.0 0.0 -100.6 -1.7 0.0 0.0 0.0 Q85
Q85
Q85
HOH
8.541
8.300
5.423
3.928
N
N
N
C
C4
C6
C12
O
6z4j 1 P00441 99.35 4e-108 X-RAY
2020-09-16 ILE A:112 AAA:112 0.0 0.0 -100.2 0.2 0.0 0.0 0.0 Q7W
Q7W
HOH
5.325
7.536
3.930
N
N
C
C3
C7
O
ILE B:112 BBB:112 0.0 0.0 -99.5 -7.2 0.0 0.0 0.0 Q7W
Q7W
HOH
6.874
5.584
4.478
C
N
C
C
SE
O
6z4k 1 P00441 99.35 4e-108 X-RAY
2020-09-16 ILE A:112 AAA:112 0.0 0.0 -99.4 -1.8 0.0 0.0 0.0 Q7N
Q7N
HOH
5.408
7.447
3.909
N
N
C
C3
C7
O
ILE B:112 BBB:112 0.0 0.0 -99.1 -7.1 0.0 0.0 0.0 Q7N
Q7N
HOH
6.802
6.006
4.445
C
N
N
C
SE
O
6z4l 1 P00441 99.35 4e-108 X-RAY
2020-09-16 ILE A:112 AAA:112 0.0 0.0 -104.1 0.6 0.0 0.0 0.0 Q8H
Q8H
HOH
5.316
7.500
3.955
N
N
C
C3
C7
O
ILE B:112 BBB:112 0.0 0.0 -95.3 -4.5 0.0 0.0 0.0 Q8H
Q8H
HOH
6.797
5.878
3.809
C
N
CG2
C
SE
O
6z4m 1 P00441 99.35 4e-108 X-RAY
2020-09-16 ILE A:112 AAA:112 0.0 0.0 -102.0 0.2 0.0 0.0 0.0 Q8E
Q8E
HOH
5.335
8.423
3.963
N
N
C
C3
C7
O
ILE B:112 BBB:112 0.0 0.0 -98.8 -3.1 0.0 0.0 0.0 Q8E
Q8E
HOH
6.875
5.561
4.569
C
N
C
C
SE
O
6z4o 1 P00441 99.35 4e-108 X-RAY
2020-09-16 ILE A:112 AAA:112 0.0 0.0 -99.8 -7.2 0.0 0.0 0.0 Q7T
Q7T
HOH
5.482
6.859
4.457
N
C
C
SE
C
O
ILE B:112 BBB:112 0.0 0.0 -101.9 -4.0 0.0 0.0 0.0 Q7T
Q7T
HOH
8.483
5.189
5.044
N
N
N
C7
C3
O
3gzq 1 P00441 99.35 4e-108 X-RAY
2009-10-13 ILE A:113 A:112 0.0 0.0 -106.2 2.0 0.0 0.0 0.0 HOH
4.049
C
O
ILE B:113 B:112 0.0 0.0 -105.2 -0.3 0.0 0.0 0.0 HOH
4.095
C
O
3ecw 1 P00441 99.35 6e-108 X-RAY
2009-05-19 ILE A:112 A:112 0.0 0.0 -107.1 5.1 0.0 0.0 0.0 HOH
6.961
N
O
ILE B:112 B:112 0.0 0.0 -107.1 5.9 0.0 0.0 0.0 HOH
7.529
N
O
ILE C:112 C:112 0.0 0.0 -116.1 -14.7 NA NA NA
ILE D:112 D:112 0.0 0.0 -108.2 -7.5 NA NA NA
1n18 1 P00441 98.7 6e-108 X-RAY
2002-11-27 ILE A:113 A:112 0.0 0.0 -93.6 1.3 0.0 0.0 0.0 HOH
3.477
CG2
O
ILE B:113 B:112 0.0 0.0 -99.6 4.3 0.0 0.0 0.0 HOH
4.787
N
O
ILE C:113 C:112 0.0 0.0 -95.2 -0.2 NA NA NA
ILE D:113 D:112 0.0 0.0 -100.2 3.3 NA NA NA
ILE E:113 E:112 0.0 0.0 -98.4 1.5 NA NA NA
ILE F:113 F:112 0.0 0.0 -102.6 4.3 NA NA NA
ILE G:113 G:112 0.0 0.0 -100.7 1.0 NA NA NA
ILE H:113 H:112 0.0 0.0 -99.4 2.3 NA NA NA
ILE I:113 I:112 0.0 0.0 -100.0 2.8 NA NA NA
ILE J:113 J:112 0.0 0.0 -104.6 1.7 NA NA NA
3h2q 1 P00441 99.35 6e-108 X-RAY
2010-05-05 ILE A:112 A:112 0.0 0.0 -107.2 -1.0 0.0 0.0 0.0 HOH
4.956
N
O
ILE B:112 B:112 0.0 0.0 -107.7 1.2 0.0 0.0 0.0 HOH
5.051
C
O
ILE C:112 C:112 0.0 0.0 -104.4 -0.7 NA NA NA
ILE D:112 D:112 0.0 0.0 -105.9 -3.3 NA NA NA
1oez 1 P00441 99.35 6e-108 X-RAY
2003-05-29 ILE A:112 W:112 0.0 0.0 -105.0 3.3 NA NA NA
ILE B:112 X:112 0.0 0.0 -105.1 1.3 NA NA NA
ILE C:112 Y:112 0.0 0.0 -104.0 0.6 0.0 0.0 0.0 HOH
4.114
N
O
ILE D:112 Z:112 0.0 0.0 -103.3 -2.0 0.0 0.0 0.0 HOH
4.016
C
O
1ozt 1 P00441 99.35 6e-108 X-RAY
2003-05-27 ILE A:112 M:112 0.0 0.0 -102.0 6.1 0.0 0.0 0.0 HOH
7.151
N
O
ILE B:112 N:112 0.0 0.0 -102.5 3.9 0.0 0.0 0.0 HOH
7.078
N
O
ILE C:112 G:112 0.0 0.0 -103.6 5.8 NA NA NA
ILE D:112 H:112 0.0 0.0 -102.8 9.1 NA NA NA
ILE E:112 K:112 0.0 0.0 -101.9 1.3 NA NA NA
ILE F:112 L:112 0.0 0.0 -101.4 4.5 NA NA NA
ILE G:112 I:112 0.0 0.0 -103.7 4.6 NA NA NA
ILE H:112 J:112 0.0 0.0 -103.1 2.8 NA NA NA
3qqd 1 P00441 99.35 6e-108 X-RAY
2011-03-09 ILE A:113 A:112 0.0 0.0 -106.2 0.2 0.0 0.0 0.0 HOH
4.964
N
O
3qqd 2 P00441 99.35 6e-108 X-RAY
2011-03-09 ILE B:113 B:112 0.0 0.0 -111.6 -0.6 0.0 0.0 0.0 HOH
4.933
N
O
5k02 1 P00441 99.35 8e-108 X-RAY
2016-11-23 ILE A:112 A:112 0.0 0.0 -103.8 0.8 0.0 0.0 0.0 HOH
2.928
CG2
O
ILE B:112 B:112 0.0 0.0 -102.2 2.6 0.0 0.0 0.0 HOH
4.004
N
O
ILE C:112 C:112 0.0 0.0 -118.7 15.6 NA NA NA
ILE D:112 D:112 0.0 0.0 -100.0 14.2 NA NA NA
ILE E:112 E:112 0.0 0.0 -117.0 -2.5 NA NA NA
ILE F:112 F:112 0.0 0.0 -94.6 3.7 NA NA NA
ILE G:112 G:112 0.0 0.0 -96.9 -9.2 NA NA NA
ILE H:112 H:112 0.0 0.0 -98.2 10.4 NA NA NA
ILE I:112 I:112 0.0 0.0 -92.3 -23.4 NA NA NA
ILE J:112 J:112 0.0 0.0 -113.3 -8.3 NA NA NA
ILE K:112 K:112 0.0 0.0 -94.5 -0.4 NA NA NA
ILE L:112 L:112 0.0 0.0 -103.5 8.0 NA NA NA
ILE M:112 M:112 0.0 0.0 -98.1 0.4 NA NA NA
ILE N:112 N:112 0.0 0.0 -100.0 -1.5 NA NA NA
ILE O:112 O:112 0.0 0.0 -98.8 14.0 NA NA NA
ILE P:112 P:112 0.0 0.0 -91.4 -20.3 NA NA NA
ILE Q:112 Q:112 0.0 0.0 -110.6 11.2 NA NA NA
ILE R:112 R:112 0.0 0.0 -97.9 -6.2 NA NA NA
ILE S:112 S:112 0.0 0.0 -100.2 3.0 NA NA NA
ILE T:112 T:112 0.0 0.0 -95.4 3.1 NA NA NA
ILE U:112 U:112 0.0 0.0 -102.0 4.2 NA NA NA
ILE V:112 V:112 0.0 0.0 -96.8 -0.1 NA NA NA
ILE W:112 W:112 0.0 0.0 -97.8 0.9 NA NA NA
ILE X:112 X:112 0.0 0.0 -106.8 14.6 NA NA NA
1azv 1 P00441 99.35 8e-108 X-RAY
1998-02-25 ILE A:112 A:112 0.0 0.0 -97.6 1.7 0.0 0.0 0.0 HOH
6.597
N
O
ILE B:112 B:112 0.0 0.0 -103.9 2.7 0.0 0.0 0.0 HOH
4.793
N
O
2vr6 1 P00441 99.35 8e-108 X-RAY
2008-04-15 ILE A:112 A:112 0.0 0.0 -105.3 -0.4 0.0 0.0 0.0 HOH
4.975
N
O
ILE B:112 F:112 0.0 0.0 -101.5 -6.8 0.0 0.0 0.0 HOH
4.825
N
O
3cqp 1 P00441 99.35 8e-108 X-RAY
2008-04-29 ILE A:112 A:112 0.0 0.0 -102.8 -1.9 NA NA NA
ILE B:112 B:112 0.0 0.0 -108.0 1.8 NA NA NA
ILE C:112 C:112 0.0 0.0 -102.3 -1.5 0.0 0.0 0.0 HOH
7.306
N
O
ILE D:112 D:112 0.0 0.0 -104.0 0.1 0.0 0.0 0.0 HOH
4.095
N
O
3cqq 1 P00441 99.35 8e-108 X-RAY
2008-04-29 ILE A:112 A:112 0.0 0.0 -106.7 1.9 0.0 0.0 0.0 HOH
4.674
C
O
ILE B:112 B:112 0.0 0.0 -108.0 -1.2 0.0 0.0 0.0 HOH
4.037
N
O
2vr7 1 P00441 99.35 9e-108 X-RAY
2008-04-15 ILE A:113 A:112 0.0 0.0 -104.3 -1.4 0.0 0.0 0.0 HOH
4.978
N
O
ILE B:113 F:112 0.0 0.0 -102.7 -4.0 0.0 0.0 0.0 HOH
4.735
C
O
2vr8 1 P00441 99.35 9e-108 X-RAY
2008-04-08 ILE A:113 A:112 0.0 0.0 -108.0 -0.1 0.0 0.0 0.0 HOH
4.425
N
O
ILE B:113 F:112 0.0 0.0 -108.5 -0.5 0.0 0.0 0.0 HOH
4.377
N
O
1p1v 1 P00441 99.35 1e-107 X-RAY
2003-08-26 ILE A:112 A:112 0.0 0.0 -105.4 -3.0 0.0 0.0 0.0 HOH
4.913
N
O
ILE B:112 B:112 0.0 0.0 -108.8 -0.2 0.0 0.0 0.0 HOH
4.836
N
O
ILE C:112 C:112 0.0 0.0 -103.0 -3.9 NA NA NA
4mcm 1 P00441 99.35 1e-107 X-RAY
2014-08-27 ILE A:112 A:112 0.0 0.0 -101.4 2.2 0.0 0.0 0.0 HOH
4.966
N
O
ILE B:112 B:112 0.0 0.0 -109.3 -0.3 0.0 0.0 0.0 HOH
4.891
N
O
ILE C:112 C:112 0.0 0.0 -108.2 -5.7 NA NA NA
ILE D:112 D:112 0.0 0.0 -107.0 -1.9 NA NA NA
ILE E:112 E:112 1.0 0.006 -110.5 4.8 NA NA NA
ILE F:112 F:112 0.0 0.0 -107.2 6.5 NA NA NA
ILE G:112 G:112 0.0 0.0 -95.9 -0.4 NA NA NA
ILE H:112 H:112 0.0 0.0 -106.0 0.1 NA NA NA
ILE I:112 I:112 0.0 0.0 -102.3 2.0 NA NA NA
ILE J:112 J:112 0.0 0.0 -107.0 1.7 NA NA NA
ILE K:112 K:112 0.0 0.0 -103.6 0.5 NA NA NA
ILE L:112 L:112 0.0 0.0 -99.0 -14.4 NA NA NA
4mcn 1 P00441 99.35 1e-107 X-RAY
2014-08-27 ILE A:112 A:112 0.0 0.0 -111.0 -2.5 0.0 0.0 0.0 HOH
5.159
C
O
ILE B:112 B:112 0.0 0.0 -108.7 -2.1 0.0 0.0 0.0 HOH
6.958
N
O
3h2p 1 P00441 99.35 2e-107 X-RAY
2010-05-05 ILE A:112 A:112 0.0 0.0 -106.3 -1.4 0.0 0.0 0.0 HOH
4.858
N
O
ILE B:112 B:112 0.0 0.0 -109.0 -2.6 0.0 0.0 0.0 HOH
4.991
N
O
4a7g 1 P00441 98.69 2e-107 X-RAY
2012-10-24 ILE A:112 A:112 0.0 0.0 -98.0 -6.9 0.0 0.0 0.0 12I
HOH
7.504
4.912
N
N
C2
O
1n19 1 P00441 98.05 4e-107 X-RAY
2002-11-27 ILE A:113 A:112 0.0 0.0 -104.9 6.2 0.0 0.0 0.0 HOH
4.953
C
O
ILE B:113 B:112 0.0 0.0 -100.0 6.0 0.0 0.0 0.0 SO4
HOH
9.888
5.244
N
N
O1
O
3gqf 1 P00441 98.69 4e-107 X-RAY
2009-04-07 ILE A:112 A:112 0.0 0.0 -107.7 -1.6 0.0 0.0 0.0 HOH
6.922
N
O
ILE B:112 B:112 0.0 0.0 -109.0 3.1 0.0 0.0 0.0 HOH
4.968
N
O
ILE C:112 C:112 0.0 0.0 -110.0 -3.3 NA NA NA
ILE D:112 D:112 0.0 0.0 -109.7 -3.6 NA NA NA
ILE E:112 E:112 0.0 0.0 -106.4 0.2 NA NA NA
ILE F:112 F:112 0.0 0.0 -105.8 -2.9 NA NA NA
3k91 1 P00441 98.69 4e-107 X-RAY
2010-01-19 ILE A:112 A:112 0.0 0.0 -108.5 -3.3 0.0 0.0 0.0 PS5
HOH
5.373
4.323
N
N
S5
O
ILE B:112 B:112 0.0 0.0 -108.8 -1.6 0.0 0.0 0.0 PS5
HOH
5.323
4.140
N
N
S1
O
5u9m 1 P00441 98.69 4e-107 X-RAY
2017-05-31 ILE A:112 A:112 0.0 0.0 -96.7 -2.1 0.0 0.0 0.0 HOH
7.273
N
O
ILE C:112 C:112 0.0 0.0 -98.6 -4.0 NA NA NA
2nnx 1 P00441 98.69 4e-107 X-RAY
2006-11-07 ILE A:113 A:112 0.0 0.0 -102.3 -2.3 0.0 0.0 0.0 HOH
7.254
N
O
ILE B:113 B:112 0.0 0.0 -101.8 -3.5 0.0 0.0 0.0 HOH
5.079
N
O
ILE C:113 C:112 0.0 0.0 -100.4 -0.6 NA NA NA
ILE D:113 D:112 0.0 0.0 -102.8 2.7 NA NA NA
6foi 1 P00441 98.69 8e-107 X-RAY
2019-01-30 ILE A:112 A:112 0.0 0.0 -100.3 -3.0 0.0 0.0 0.0 HOH
4.783
N
O
ILE B:112 F:112 0.0 0.0 -105.1 -4.3 0.0 0.0 0.0 HOH
4.365
N
O
ILE C:112 D:112 0.0 0.0 -103.9 -5.2 NA NA NA
ILE D:112 G:112 0.0 0.0 -101.1 -5.5 NA NA NA
ILE E:112 I:112 0.0 0.0 -105.7 -1.5 NA NA NA
ILE F:112 K:112 0.0 0.0 -105.9 -0.6 NA NA NA
ILE G:112 M:112 0.0 0.0 -105.7 -6.4 NA NA NA
ILE H:112 O:112 0.0 0.0 -98.0 -13.9 NA NA NA
ILE I:112 Q:112 0.0 0.0 -99.5 -2.8 NA NA NA
ILE J:112 S:112 0.0 0.0 -107.4 -3.6 NA NA NA
ILE K:112 U:112 0.0 0.0 -97.5 -8.3 NA NA NA
ILE L:112 W:112 0.0 0.0 -99.3 -5.6 NA NA NA
6fol 2 P00441 98.69 8e-107 X-RAY
2019-01-30 ILE B:112 B:112 0.0 0.0 -102.8 0.4 0.0 0.0 0.0 HOH
7.494
N
O
ILE C:112 C:112 0.0 0.0 -100.5 -5.0 NA NA NA
ILE F:112 F:112 0.0 0.0 -101.5 -0.4 NA NA NA
ILE G:112 G:112 0.0 0.0 -113.5 -1.3 NA NA NA
6fon 2 P00441 98.69 8e-107 X-RAY
2019-01-30 ILE B:112 B:112 0.0 0.0 -85.8 -14.3 0.0 0.0 0.0
ILE D:112 D:112 0.0 0.0 -86.1 -14.5 0.0 0.0 0.0
6fp6 1 P00441 98.69 8e-107 X-RAY
2019-01-30 ILE A:112 A:112 0.0 0.0 -102.0 -3.6 0.0 0.0 0.0 PPI
HOH
8.610
8.413
N
N
C3
O
ILE C:112 C:112 0.0 0.0 -95.6 -5.9 NA NA NA
ILE E:112 E:112 0.0 0.0 -90.6 2.1 NA NA NA
ILE G:112 G:112 0.0 0.0 -96.5 1.1 NA NA NA
ILE I:112 I:112 0.0 0.0 -103.3 2.3 NA NA NA
ILE K:112 K:112 0.0 0.0 -93.9 0.6 NA NA NA
ILE M:112 M:112 0.0 0.0 -90.5 -5.0 NA NA NA
ILE O:112 O:112 0.0 0.0 -94.4 -3.8 NA NA NA
ILE Q:112 Q:112 0.0 0.0 -85.1 1.3 NA NA NA
ILE S:112 S:112 0.0 0.0 -99.5 -2.5 NA NA NA
ILE U:112 U:112 0.0 0.0 -94.3 0.5 NA NA NA
ILE W:112 W:112 0.0 0.0 -95.1 -2.2 NA NA NA
2gbt 1 P00441 98.69 8e-107 X-RAY
2007-01-02 ILE A:112 A:112 0.0 0.0 -99.4 0.3 0.0 0.0 0.0 HOH
4.784
N
O
ILE B:112 B:112 0.0 0.0 -90.8 -5.3 0.0 0.0 0.0 HOH
3.639
CG2
O
ILE C:112 C:112 0.0 0.0 -92.5 -3.0 NA NA NA
ILE D:112 D:112 0.0 0.0 -103.0 -1.9 NA NA NA
2lu5 1 P00441 98.69 9e-107 SOLID-STATE NMR
2012-06-27 ILE A:112 A:112 9.0 0.051 S -113.4 -56.5 9.0 0.051 0.0
1sos 1 P00441 98.69 9e-107 X-RAY
1993-04-15 ILE A:113 A:112 0.0 0.0 -90.6 3.8 0.0 0.0 0.0 HOH
8.587
N
O
ILE B:113 F:112 0.0 0.0 -91.8 4.9 0.0 0.0 0.0 HOH
8.315
C
O
ILE C:113 B:112 0.0 0.0 -85.6 1.1 NA NA NA
ILE D:113 G:112 0.0 0.0 -107.2 15.4 NA NA NA
ILE E:113 C:112 0.0 0.0 -96.4 3.9 NA NA NA
ILE F:113 H:112 0.0 0.0 -107.3 -4.3 NA NA NA
ILE G:113 D:112 0.0 0.0 -97.8 1.3 NA NA NA
ILE H:113 I:112 0.0 0.0 -104.0 4.4 NA NA NA
ILE I:113 E:112 0.0 0.0 -108.7 -5.0 NA NA NA
ILE J:113 J:112 0.0 0.0 -95.7 2.6 NA NA NA
1fun 1 P00441 98.04 3e-106 X-RAY
1999-07-23 ILE A:112 A:112 0.0 0.0 -90.9 -0.1 0.0 0.0 0.0 HOH
5.639
C
O
ILE B:112 F:112 0.0 0.0 -89.4 -4.9 0.0 0.0 0.0 HOH
5.910
C
O
ILE C:112 B:112 0.0 0.0 -92.3 -6.0 NA NA NA
ILE D:112 G:112 0.0 0.0 -99.2 -6.6 NA NA NA
ILE E:112 C:112 0.0 0.0 -87.6 -8.2 NA NA NA
ILE F:112 H:112 0.0 0.0 -88.8 -6.5 NA NA NA
ILE G:112 D:112 0.0 0.0 -104.6 -9.0 NA NA NA
ILE H:112 I:112 0.0 0.0 -87.8 1.1 NA NA NA
ILE I:112 E:112 0.0 0.0 -85.6 -8.6 NA NA NA
ILE J:112 J:112 0.0 0.0 -72.9 -3.2 NA NA NA
2r27 1 P00441 97.4 4e-106 X-RAY
2007-12-11 ILE A:113 A:112 0.0 0.0 -101.8 4.3 0.0 0.0 0.0 HOH
4.527
C
O
ILE B:113 B:112 0.0 0.0 -97.5 4.9 0.0 0.0 0.0 HOH
4.745
C
O
4oh2 1 P00441 98.04 5e-106 X-RAY
2014-10-15 ILE A:112 A:112 0.0 0.0 -99.4 2.6 0.0 0.0 0.0 HOH
4.854
C
O
ILE B:112 B:112 0.0 0.0 -100.0 7.5 0.0 0.0 0.0 HOH
4.987
N
O
ILE C:112 C:112 0.0 0.0 -93.8 3.2 NA NA NA
ILE D:112 D:112 0.0 0.0 -99.9 5.4 NA NA NA
ILE E:112 E:112 0.0 0.0 -95.5 -1.4 NA NA NA
ILE F:112 F:112 0.0 0.0 -107.1 8.5 NA NA NA
ILE G:112 G:112 0.0 0.0 -93.8 -6.8 NA NA NA
ILE H:112 H:112 0.0 0.0 -95.2 -0.4 NA NA NA
ILE I:112 I:112 0.0 0.0 -117.4 3.4 NA NA NA
ILE J:112 J:112 0.0 0.0 -106.5 4.4 NA NA NA
1ptz 1 P00441 98.04 8e-106 X-RAY
2003-09-09 ILE A:112 A:112 0.0 0.0 -102.4 3.3 0.0 0.0 0.0 HOH
4.809
N
O
ILE B:112 B:112 0.0 0.0 -101.0 2.8 0.0 0.0 0.0 HOH
4.981
C
O
2gbu 1 P00441 97.39 2e-105 X-RAY
2007-01-02 ILE A:112 A:112 0.0 0.0 -103.2 6.0 0.0 0.0 0.0 HOH
4.728
N
O
ILE B:112 B:112 0.0 0.0 -88.3 -10.4 0.0 0.0 0.0 HOH
3.578
CG2
O
ILE C:112 C:112 0.0 0.0 -87.3 -1.5 NA NA NA
ILE D:112 D:112 0.0 0.0 -99.2 4.5 NA NA NA
2gbv 1 P00441 97.39 2e-105 X-RAY
2007-01-02 ILE A:112 A:112 0.0 0.0 -88.8 -2.8 0.0 0.0 0.0 HOH
3.623
CG2
O
ILE B:112 B:112 0.0 0.0 -91.2 -5.2 NA NA NA
ILE C:112 C:112 0.0 0.0 -89.7 0.4 NA NA NA
ILE D:112 D:112 0.0 0.0 -102.2 0.8 NA NA NA
ILE E:112 E:112 0.0 0.0 -88.7 -2.3 NA NA NA
ILE F:112 F:112 0.0 0.0 -87.7 -2.3 0.0 0.0 0.0 HOH
4.729
N
O
ILE G:112 G:112 0.0 0.0 -95.4 0.3 NA NA NA
ILE H:112 H:112 0.0 0.0 -96.1 -0.4 NA NA NA
ILE I:112 I:112 0.0 0.0 -85.1 -5.0 NA NA NA
ILE J:112 J:112 0.0 0.0 -87.9 -0.4 NA NA NA
6dtk 1 P00441 98.7 2e-105 X-RAY
2019-06-19 ILE A:113 A:112 0.0 0.0 -93.1 0.3 0.0 0.0 0.0 HOH
4.676
N
O
ILE B:113 C:112 0.0 0.0 -105.4 1.7 NA NA NA
ILE C:113 E:112 0.0 0.0 -100.4 2.7 NA NA NA
ILE D:113 G:112 0.0 0.0 -102.2 1.5 NA NA NA
ILE E:113 I:112 0.0 0.0 -99.9 1.9 NA NA NA
6dtk 1 P00441 98.68 9e-104 X-RAY
2019-06-19 ILE A:282 A:281 0.0 0.0 -99.9 3.3 0.0 0.0 0.0 HOH
4.818
N
O
ILE B:282 C:281 0.0 0.0 -108.1 2.5 NA NA NA
ILE C:282 E:281 0.0 0.0 -101.2 1.4 NA NA NA
ILE D:282 G:281 0.0 0.0 -105.0 1.8 NA NA NA
ILE E:282 I:281 0.0 0.0 -101.5 0.5 NA NA NA
2xjk 1 P00441 97.39 2e-104 X-RAY
2010-09-01 ILE A:112 A:112 0.0 0.0 -80.2 -9.3 0.0 0.0 0.0 HOH
3.414
CG2
O
1mfm 1 P00441 96.73 6e-104 X-RAY
1999-04-21 ILE A:112 A:112 0.0 0.0 -82.6 -9.7 0.0 0.0 0.0 CD
HOH
8.501
3.430
N
CG2
CD
O
3gtv 1 P00441,P08228 95.42 1e-103 X-RAY
2010-09-08 ILE A:112 A:112 0.0 0.0 -99.7 8.1 0.0 0.0 0.0 HOH
5.038
C
O
ILE B:112 B:112 0.0 0.0 -108.0 7.3 0.0 0.0 0.0 HOH
4.535
N
O
ILE C:112 C:112 0.0 0.0 -104.3 11.6 NA NA NA
ILE D:112 D:112 0.0 0.0 -107.5 3.0 NA NA NA
ILE E:112 E:112 0.0 0.0 -91.0 8.7 NA NA NA
ILE F:112 F:112 0.0 0.0 -95.4 2.0 NA NA NA
ILE G:112 G:112 0.0 0.0 -103.6 5.3 NA NA NA
ILE H:112 H:112 0.0 0.0 -100.9 3.2 NA NA NA
ILE I:112 I:112 0.0 0.0 -99.5 -1.9 NA NA NA
ILE J:112 J:112 0.0 0.0 -117.7 0.7 NA NA NA
ILE K:112 K:112 0.0 0.0 -101.2 13.7 NA NA NA
ILE L:112 L:112 0.0 0.0 -101.6 8.1 NA NA NA
4bcy 1 P00441 96.73 2e-103 X-RAY
2013-02-27 ILE A:112 A:112 0.0 0.0 -80.2 -4.5 0.0 0.0 0.0 HOH
3.411
CG2
O
2xjl 1 P00441 95.42 2e-101 X-RAY
2010-09-01 ILE A:112 A:112 0.0 0.0 -80.2 -10.2 0.0 0.0 0.0 HOH
3.415
CG2
O
3hff 1 P00441 94.77 1e-100 X-RAY
2009-06-16 ILE A:112 A:112 2.0 0.011 -85.9 -5.0 2.0 0.011 0.0 HOH
3.948
CG2
O
3ltv 1 P08228,P00441 88.24 3e-94 X-RAY
2010-09-08 ILE A:112 A:112 0.0 0.0 -111.5 6.0 0.0 0.0 0.0 HOH
4.816
N
O
ILE B:112 B:112 0.0 0.0 -102.6 4.1 0.0 0.0 0.0 HOH
7.174
N
O
ILE C:112 C:112 0.0 0.0 -92.4 15.0 NA NA NA
ILE D:112 D:112 0.0 0.0 -109.1 8.3 NA NA NA
ILE E:112 E:112 0.0 0.0 -107.8 8.2 NA NA NA
ILE F:112 F:112 0.0 0.0 -116.0 2.4 NA NA NA
3gtt 1 P08228 83.66 5e-89 X-RAY
2010-09-08 ILE A:112 A:112 0.0 0.0 -103.4 3.0 0.0 0.0 0.0 HOH
4.799
C
O
ILE B:112 B:112 0.0 0.0 -91.9 1.1 0.0 0.0 0.0 HOH
4.947
N
O
ILE C:112 C:112 0.0 0.0 -96.7 -4.5 NA NA NA
ILE D:112 D:112 0.0 0.0 -103.9 -0.6 NA NA NA
ILE E:112 E:112 0.0 0.0 -110.5 0.2 NA NA NA
ILE F:112 F:112 0.0 0.0 -105.1 -5.6 NA NA NA
2mp3 1 P00441 100.0 9e-88 NMR
2015-05-20 ILE A:119 A:112 100.0 0.571 S -102.6 -40.8 100.0 0.571 0.0
1cbj 1 P00442 81.7 1e-83 X-RAY
1999-03-03 ILE A:110 A:110 0.0 0.0 -101.7 -1.9 0.0 0.0 0.0 HOH
4.816
C
O
ILE B:110 B:110 0.0 0.0 -102.9 -1.8 0.0 0.0 0.0 HOH
4.835
C
O
1cob 1 P00442 81.7 1e-83 X-RAY
1993-10-31 ILE A:110 A:110 0.0 0.0 -98.0 -9.1 0.0 0.0 0.0 HOH
5.255
N
O
ILE B:110 B:110 0.0 0.0 -100.0 -0.0 0.0 0.0 0.0 HOH
4.704
N
O
1sxa 1 P00442 81.7 1e-83 X-RAY
1995-06-03 ILE A:110 A:110 0.0 0.0 -103.0 -1.4 0.0 0.0 0.0 HOH
4.821
C
O
ILE B:110 B:110 0.0 0.0 -105.5 4.7 0.0 0.0 0.0 HOH
4.921
C
O
1sxb 1 P00442 81.7 1e-83 X-RAY
1995-06-03 ILE A:110 A:110 0.0 0.0 -101.4 0.6 0.0 0.0 0.0 HOH
4.822
C
O
ILE B:110 B:110 0.0 0.0 -105.9 5.5 0.0 0.0 0.0 HOH
5.051
N
O
1sxc 1 P00442 81.7 1e-83 X-RAY
1995-06-03 ILE A:110 A:110 0.0 0.0 -101.6 0.3 0.0 0.0 0.0 HOH
4.785
C
O
ILE B:110 B:110 0.0 0.0 -104.2 4.8 0.0 0.0 0.0 HOH
5.017
C
O
1sxn 1 P00442 81.7 1e-83 X-RAY
1998-03-18 ILE A:110 A:110 0.0 0.0 -102.9 1.5 0.0 0.0 0.0 HOH
4.840
N
O
ILE B:110 B:110 0.0 0.0 -102.8 4.1 0.0 0.0 0.0 HOH
4.683
C
O
1sxs 1 P00442 81.7 1e-83 X-RAY
1998-09-30 ILE A:110 A:110 0.0 0.0 -102.2 6.9 0.0 0.0 0.0 HOH
4.882
C
O
ILE B:110 B:110 0.0 0.0 -103.2 5.3 0.0 0.0 0.0 HOH
4.596
C
O
1sxz 1 P00442 81.7 1e-83 X-RAY
1998-09-30 ILE A:110 A:110 0.0 0.0 -98.8 5.4 0.0 0.0 0.0 HOH
4.906
C
O
ILE B:110 B:110 0.0 0.0 -99.8 2.2 0.0 0.0 0.0 HOH
4.610
C
O
2aeo 1 P00442 81.7 1e-83 X-RAY
2006-05-02 ILE A:110 A:110 0.0 0.0 -103.2 -1.0 0.0 0.0 0.0 HOH
4.810
N
O
ILE B:110 B:110 0.0 0.0 -104.3 3.4 0.0 0.0 0.0 HOH
4.857
N
O
2z7u 1 P00442 81.7 1e-83 X-RAY
2008-09-02 ILE A:110 A:110 0.0 0.0 -101.3 0.9 0.0 0.0 0.0 HOH
3.689
CG2
O
ILE B:110 B:110 0.0 0.0 -104.9 5.7 0.0 0.0 0.0 HOH
4.921
C
O
2z7w 1 P00442 81.7 1e-83 X-RAY
2008-09-02 ILE A:110 A:110 0.0 0.0 -101.0 -3.7 0.0 0.0 0.0 HOH
4.966
C
O
ILE B:110 B:110 0.0 0.0 -103.7 3.9 0.0 0.0 0.0 HOH
4.895
N
O
2z7y 1 P00442 81.7 1e-83 X-RAY
2008-09-02 ILE A:110 A:110 0.0 0.0 -98.6 -0.1 0.0 0.0 0.0 HOH
4.668
N
O
ILE B:110 B:110 0.0 0.0 -103.7 3.6 0.0 0.0 0.0 HOH
4.887
N
O
2z7z 1 P00442 81.7 1e-83 X-RAY
2008-09-02 ILE A:110 A:110 0.0 0.0 -98.9 1.3 0.0 0.0 0.0 HOH
3.546
CG2
O
ILE B:110 B:110 0.0 0.0 -100.8 3.8 0.0 0.0 0.0 HOH
4.932
N
O
2zow 1 P00442 81.7 1e-83 X-RAY
2009-06-30 ILE A:110 A:110 0.0 0.0 -97.9 -2.0 0.0 0.0 0.0 HOH
4.710
N
O
ILE B:110 B:110 0.0 0.0 -102.6 2.8 0.0 0.0 0.0 HOH
4.902
N
O
3hw7 1 P00442 81.7 1e-83 X-RAY
2010-06-23 ILE A:110 A:110 0.0 0.0 -102.3 1.0 0.0 0.0 0.0 HOH
4.739
C
O
ILE B:110 B:110 0.0 0.0 -102.6 4.9 0.0 0.0 0.0 HOH
4.987
N
O
1q0e 1 P00442 81.7 1e-83 X-RAY
2003-09-23 ILE A:111 A:110 0.0 0.0 -99.0 -0.9 0.0 0.0 0.0 HOH
4.836
N
O
ILE B:111 B:110 0.0 0.0 -101.4 0.3 NA NA NA
1sda 1 P00442 81.7 1e-83 X-RAY
1993-10-31 ILE A:111 O:110 0.0 0.0 -94.1 -3.6 0.0 0.0 0.0
ILE B:111 Y:110 0.0 0.0 -103.1 7.2 0.0 0.0 0.0
ILE C:111 B:110 0.0 0.0 -101.1 2.9 NA NA NA
ILE D:111 G:110 0.0 0.0 -97.9 0.8 NA NA NA
2sod 1 P00442 81.7 1e-83 X-RAY
1980-05-07 ILE A:111 O:110 4.0 0.023 -98.7 30.2 4.0 0.023 0.0
ILE B:111 Y:110 1.0 0.006 -107.8 10.4 1.0 0.006 0.0
ILE C:111 B:110 0.0 0.0 -99.6 5.5 NA NA NA
ILE D:111 G:110 9.0 0.051 -88.0 3.4 NA NA NA
1e9o 2 P00442 80.52 2e-83 X-RAY
2000-12-03 ILE B:111 B:110 0.0 0.0 -100.9 5.9 0.0 0.0 0.0 HOH
4.737
C
O
1cb4 1 P00442 81.05 5e-83 X-RAY
1999-03-03 ILE A:110 A:110 0.0 0.0 -94.6 -1.9 0.0 0.0 0.0 HOH
4.736
C
O
ILE B:110 B:110 0.0 0.0 -103.0 1.1 0.0 0.0 0.0 HOH
4.927
C
O
3sod 1 P00442 81.05 1e-82 X-RAY
1993-04-15 ILE A:111 O:110 0.0 0.0 -101.5 -1.3 0.0 0.0 0.0
ILE B:111 Y:110 0.0 0.0 -101.6 -1.1 0.0 0.0 0.0
ILE C:111 G:110 0.0 0.0 -101.5 -1.3 NA NA NA
ILE D:111 B:110 0.0 0.0 -101.5 -1.3 NA NA NA
1e9q 2 P00442 80.39 3e-82 X-RAY
2000-12-03 ILE B:110 B:110 0.0 0.0 -106.1 5.0 0.0 0.0 0.0 HOH
4.829
C
O

AlphaFold DB

Entity Residue Monomer View
ID Entity Uniprot Identity Evalue Name Label Auth ASA rASA SS φ ψ
af-p00441-f1 1 P00441 100.0 3e-110 ILE A:113 A:113 0.0 0.0 -95.3 -5.0