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ANDR_HUMAN_666_919_ligBind

Androgen receptor [Nuclear hormone receptor family. NR3 subfamily]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (ANDR_HUMAN):R: Interaction with LPXN (903, 904)
R: Interaction with KAT7 (702, 705, 706, 708, 709, 712, 713, 739, 742, 743, 746, 747, 750, 753, 765, 779, 781, 788, 874, 875, 877, 878, 881, 892, 896, 899, 900, 903, 904)
D: NR LBD (702, 705, 706, 708, 709, 712, 713, 739, 742, 743, 746, 747, 750, 753, 765, 779, 781, 788, 874, 875, 877, 878, 881, 892, 896, 899, 900)
702, 705, 706, 708, 709, 712, 713, 739, 742, 743, 746, 747, 750, 753, 765, 779, 781, 788, 874, 875, 877, 878, 881, 892, 896, 899, 900, 903, 904

Full PDB list

1e3g, 1gs4, 1i37, 1i38, 1t5z, 1t63, 1t65, 1t73, 1t74, 1t76, 1t79, 1t7f, 1t7m, 1t7r, 1t7t, 1xj7, 1xnn, 1xow, 1xq3, 1z95, 2am9, 2ama, 2amb, 2ao6, 2ax6, 2ax7, 2ax8, 2ax9, 2axa, 2hvc, 2ihq, 2nw4, 2oz7, 2pio, 2pip, 2piq, 2pir, 2pit, 2pix, 2pnu, 2q7i, 2q7j, 2q7k, 2q7l, 2yhd, 2ylo, 2ylp, 2ylq, 3b5r, 3b65, 3b66, 3b67, 3b68, 3g0w, 3rlj, 3rll, 3v49, 3v4a, 3zqt, 4hlw, 4k7a, 4ogh, 4oh5, 4oha, 4oil, 4oiu, 4oj9, 4ojb, 4ok1, 4okb, 4okt, 4okw, 4okx, 4olm, 4ql8, 5cj6, 5t8e, 5t8j, 5v8q, 5vo4 (redundant Pocketome entry); 2piu, 2piv, 2piw, 2pkl, 2qpy, 2z4j, 3l3x, 3l3z, 4oea, 4oed, 4oey, 4oez, 4ofr, 4ofu, 5jjm (unprocessed)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1
L
7
0
2
L
7
0
5
N
7
0
6
L
7
0
8
G
7
0
9
Q
7
1
2
Q
7
3
9
W
7
4
2
M
7
4
3
M
7
4
6
V
7
4
7
M
7
5
0
R
7
5
3
F
7
6
5
S
7
7
9
M
7
8
1
M
7
8
8
L
8
7
4
H
8
7
5
F
8
7
7
T
8
7
8
L
8
8
1
F
8
9
2
M
8
9
6
I
8
9
9
I
9
0
0
Q
9
0
3
V
9
0
4
[1]1gs4.a zk527 H . . . . . . . . . . . . . . . . . . . A . . . . . . .
[1]1i38.a dht21 . . . . . . . . . . . . . . . . . . . . A . . . . . . .
[1]1xnn.a hyq26 . . . . . . . . . . . . . . . . . . . . A . . . . . . .
[1]1xow.a r1821 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2amb.a 17h23 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2ax7.a fhm28 . . . . . . . . . . . . . . . . . . . . A . . . . . . .
[1]2ax8.a fhm28 . . . . . . . L . . . . . . . . . . . . . . . . . . . .
[1]2ax9.a bhm21 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2axa.a fhm28 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2hvc.a lgd26 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2ihq.a lg723 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2nw4.a 8nh21 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2oz7.a ca429 . . . . . . . . . . . . . . . . . . . . A . . . . . . .
[1]2pip.l dht21 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2pnu.a enm32 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]2q7k.a tes21 . . . . . . . . . . . . . . . . . . Y . . . . . . . . .
[1]2ylo.a tes21 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3b5r.a b5r28 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3b65.a 3b625 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3b66.a b6629 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3b67.a b6732 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3b68.a b6831 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3g0w.a lgb24 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3rlj.a rlj28 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3rll.a rll32 . . . . . . . . . . . . . . . . . . . . A . . . . . . .
[1]3v49.a pk028 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]3v4a.a pk124 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]4oha.a hft20 . . . . . . . . . . . . . . . . . . . . A . . . . . . .
[1]4ojb.a 19829 . . . . . . . L . . . . . . . . . . . . . . . . . . . .
[1]4ql8.a jad21 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5cj6.a 51y18 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5t8e.a 77u17 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5t8j.a 77t18 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5v8q.a 97a21 . . . . . . . . . . . . . . . . . . . . . . . . . . . .
[1]5vo4.a 9fg16 . . . . . . . . . . . . . . . . . . . . . . . . . . . .

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Site contact map

[download in TSV format]
   
PDB.ch
A1
L
7
0
2
L
7
0
5
N
7
0
6
L
7
0
8
G
7
0
9
Q
7
1
2
L
7
1
3
Q
7
3
9
W
7
4
2
M
7
4
3
M
7
4
6
V
7
4
7
M
7
5
0
R
7
5
3
F
7
6
5
S
7
7
9
M
7
8
1
M
7
8
8
L
8
7
4
H
8
7
5
F
8
7
7
T
8
7
8
L
8
8
1
F
8
9
2
M
8
9
6
I
8
9
9
I
9
0
0
Q
9
0
3
V
9
0
4
[1]1gs4.a H . * . . . . . * . . . . . . . . . . . . A . . . . . . .
[1]1i38.a * . . . . . . . * . . . . . . . . . . . . A . . * . . . .
[1]1xnn.a . . . . . . . . * . * . . . . . . . . . * A . . * . . . .
[1]1xow.a * . . . . . . . * . * . . . . . . . . . . . . . * . . . .
[1]2amb.a . . . . . . . . * . * . . . . . . . . . . . . . . . . . .
[1]2ax7.a * . . . . . . . * . * . . . . . . . . . * A . . * . . . .
[1]2ax8.a * . . . . . . . L . . . . . . . . . . . * . . . . . . . .
[1]2ax9.a . . . . . . . . * . * . . . . . . . . . * . . . . . . . .
[1]2axa.a * . . . . . . . * . * . . . . . . . . . * . . . * . . . .
[1]2hvc.a * . . . . . . . * . . . . . . . . . . . . . . . . . . . .
[1]2ihq.a * . . . . . . . * . * . . . . . . . . . . . . . * . . . .
[1]2nw4.a * . . . . . . . * . * . . . . . . . . . . . . . * . . . .
[1]2oz7.a . . . . . . . . * . . . . . . . . . . . . A . . * * . . .
[1]2pip.l * . . . . . . . * . . . . . . . . . . . . . . . . . . . .
[1]2pnu.a * . . . . . . . * . . . . . . . . . . . . . . . . . . . .
[1]2q7k.a * . . . . . . . * . . . . . . . . . . Y . . . . * . . . .
[1]2ylo.a * . . . . . . . * . . . . . . . . . . . . . . . * . . . .
[1]3b5r.a . . . . . . . . * . * . . . . . . . . . * . . . * . . . .
[1]3b65.a . . . . . . . . * . * . . . . . . . . . * . . . * . . . .
[1]3b66.a . . . . . . . . * . * . . . . . . . . . * . . . * . . . .
[1]3b67.a * . . . . . . . * . . . . . . . . . . . * . . . * . . . .
[1]3b68.a . . . . . . . . * . * . . . . . . . . . * . . . . . . . .
[1]3g0w.a . . . . . . . . * . * . . . . . . . . . . . . . . . . . .
[1]3rlj.a . . . . . . . . * . * . . . . . . . . . * . . . * . . . .
[1]3rll.a . . . . . * . . * . . . . . . . . . . . * A . . * . . . .
[1]3v49.a . . . . . . . . * * * . . . . . . . . . . . . . . . . . .
[1]3v4a.a * . . . . . . . * * . . . . . . . . . . . * . . . . . . .
[1]4oha.a . . . . . * . . * . * . . . . . . . . . * A . . . . . . .
[1]4ojb.a * . . . . . . . L . * . . . . . . . . . * . . . . . . . .
[1]4ql8.a . . . . . . . . * . * . . . . . . . . . . . . . . . . . .
[1]5cj6.a . . . . . . . . * . * . . . . . . . . . . . . . * . . . .
[1]5t8e.a * . . . . . . . * . * . . . . . . . . . . . . . * . . . .
[1]5t8j.a * . . . . . . . * . * . . . . . . . . . * . . . . . . . .
[1]5v8q.a * . . . . . . . * . * . . . . . . . . . . . . . * . . . .
[1]5vo4.a * . . . . . . . * . * . . . . . . . . . . . . . * . . . .

Legend

B backbone contact  S side chain contact  F BB + SCh
.
 no contact C covalent bond
X X X X X  clash
X mutation to X * complex cases - deletion
M contact with cofactors/metals (if any)

Pocket-ligand steric compatibility

Ligands (x) vs pockets (y) colored by number of steric clashes

zoom: [−] [+]; [view as image]; [download as text]

pocketligand
≥10
9
8
7
6
5
4
3
2
1
0
1gs4.a:zk5
1i38.a:dht
1xnn.a:hyq
1xow.a:r18
2amb.a:17h
2ax7.a:fhm
2ax8.a:fhm
2ax9.a:bhm
2axa.a:fhm
2hvc.a:lgd
2ihq.a:lg7
2nw4.a:8nh
2oz7.a:ca4
2pip.l:dht
2pnu.a:enm
2q7k.a:tes
2ylo.a:tes
3b5r.a:b5r
3b65.a:3b6
3b66.a:b66
3b67.a:b67
3b68.a:b68
3g0w.a:lgb
3rlj.a:rlj
3rll.a:rll
3v49.a:pk0
3v4a.a:pk1
4oha.a:hft
4ojb.a:198
4ql8.a:jad
5cj6.a:51y
5t8e.a:77u
5t8j.a:77t
5v8q.a:97a
5vo4.a:9fg
[1] 1gs4.a
0.1
0.1 1.0 0.1 0.4 2.9 3.6 0.2 3.0 0.6 0.6 0.5 2.4 0 2.7 0 0 2.7 3.2 3.5 3.5 3.5 0.3 3.2 3.6 1.5 0.9 0.1 3.6 0.1 0.3 0.1 0.4 0 0
[1] 1i38.a 0.4
0
1.3 0.1 0.9 3.2 4.2 0.4 3.4 0.6 0.6 0.2 1.4 0 3.8 0 0 3.1 3.7 4.6 4.1 4.2 0.9 3.7 4.1 1.5 1.3 0.1 4.5 0.3 0.2 0 0.3 0.3 0
[1] 1xnn.a 0.9 0.7
0
0.1 0.5 1.5 2.3 0.4 1.9 0.5 0.1 0.1 2.0 0.6 3.3 0.8 0.8 2.1 2.5 1.9 2.4 2.6 0.7 2.0 3.1 1.3 0.6 0.1 3.1 0.2 0 0 0 0 0
[1] 1xow.a 1.4 0.7 1.2
0
0.5 2.5 3.0 0.5 2.7 0.4 0.6 0.4 1.9 0.5 3.7 0.8 0.8 2.8 2.9 3.0 3.2 2.5 0.9 2.9 3.8 1.8 1.5 0.1 3.6 0.3 0.3 0.1 0.6 0 0
[1] 2amb.a 1.1 0.7 0.2 0
0
1.3 1.6 0.1 1.6 0.3 0.1 0 1.8 0.4 3.2 0.8 0.8 1.8 1.8 1.9 1.7 2.1 0.1 2.0 2.4 1.8 1.2 0.1 1.7 0 0.1 0 0 0 0
[1] 2ax7.a 1.3 0.6 0.8 0.2 0.9
0.1
0.1 0.3 0 0.8 0.5 0.7 2.3 0.6 3.2 0.7 0.9 0.1 0.1 0.1 0.4 0.4 1.5 0.1 0.9 0.6 0.6 0 1.4 0.9 0.3 0.2 0.5 0.1 0.1
[1] 2ax8.a 1.3 0.9 1.1 0.4 0.9 0.1
0
0.1 0.1 0.4 0.6 0.7 2.3 0.6 1.4 0.7 0.6 0.4 0.3 0.4 0.2 0.8 0.8 0.4 0.8 1.1 1.2 0 0.2 0.6 0.6 0.4 0.9 0.2 0.1
[1] 2ax9.a 1.4 1.1 1.2 0.3 0.5 2.0 1.9
0.2
1.9 0.4 0.6 0.6 2.6 0.8 2.8 0.9 0.8 2.2 2.3 2.2 2.0 2.1 0.7 2.1 3.3 1.7 1.6 0 2.1 0.5 0.5 0.3 0.9 0.2 0.1
[1] 2axa.a 1.3 0.6 1.2 0.3 0.8 0 0.1 0.3
0
0.5 0.5 0.5 2.3 0.5 2.5 0.5 0.7 0.2 0.1 0.2 0.4 0.2 1.2 0.2 0.8 1.0 0.8 0 1.2 0.5 0.3 0.2 0.8 0.1 0.1
[1] 2hvc.a 1.5 0.8 1.3 0.3 0.9 1.2 1.6 0.2 1.3
0.1
0.6 0.6 2.4 0.6 0.9 0.7 0.6 1.3 1.1 1.3 1.8 1.7 0.5 1.3 3.1 1.4 1.6 0.1 1.0 0.2 0.3 0.1 0.9 0 0
[1] 2ihq.a 1.2 0.7 0.6 0.2 1.1 1.1 2.0 0.7 1.4 1.0
0.2
0 2.1 0.7 3.0 0.9 0.8 1.3 2.0 2.3 2.0 1.9 1.0 1.8 2.5 1.9 1.2 0.2 2.3 0.7 0 0.1 0.4 0.1 0
[1] 2nw4.a 1.5 0.7 0.6 0.3 0.8 1.7 2.3 0.6 1.6 1.0 0.2
0
2.6 0.5 3.4 0.8 0.7 1.8 1.8 2.7 2.2 2.1 0.9 1.7 2.7 2.1 1.3 0.4 3.0 0.4 0.1 0 0.3 0.2 0
[1] 2oz7.a 0.5 0.1 0.9 0.1 0.4 3.0 3.1 0.7 3.0 0.3 0.5 0.6
0
0.1 2.3 0.1 0.1 2.8 3.5 2.7 3.2 3.7 0.6 2.7 3.2 1.4 0.8 0.2 4.1 0.4 0.2 0.1 0.3 0.1 0
[1] 2pip.l 0.6 0 0.3 0.2 0.4 3.3 4.3 0.3 3.5 0.3 0.2 0 1.5
0
3.2 0 0 3.0 3.5 4.3 3.8 3.7 0.1 3.7 4.0 1.7 1.1 0.3 4.2 0 0 0 0 0 0
[1] 2pnu.a 0.4 0 0.2 0.2 0.7 0.8 1.2 0 0.7 0.2 0.1 0 1.3 0
0
0 0 0.9 0.6 0.5 1.3 0.6 0.1 0.7 1.7 1.0 0.9 0 0.9 0 0 0 0.1 0 0
[1] 2q7k.a 0.7 0.1 1.4 0.1 1.2 3.1 4.3 0.7 3.5 0.7 0.6 0.2 1.8 0.1 4.1
0
0.1 3.2 3.9 4.8 4.5 3.7 0.9 4.1 4.5 1.5 1.4 0.2 4.2 0.6 0.2 0.1 0.3 0.2 0
[1] 2ylo.a 0.6 0.1 0.5 0.1 1.1 3.2 4.0 0.4 3.5 0.6 0.3 0 1.5 0 4.1 0
0
3.2 3.5 4.6 3.7 3.9 0.7 3.6 4.0 1.7 1.6 0.1 4.6 0.3 0 0 0.2 0.1 0
[1] 3b5r.a 1.3 0.6 1.2 0.3 0.4 0.1 0.1 0.3 0 0.5 0.6 0.5 2.4 0.5 2.6 0.5 0.7
0
0 0 0.4 0.2 1.2 0 1.1 0.4 0.5 0 1.3 0.6 0.5 0.2 0.6 0.1 0.1
[1] 3b65.a 1.6 0.8 0.9 0.1 0.3 0.1 0.1 0.3 0.1 0.7 0.4 0.5 2.1 0.6 2.6 0.7 0.8 0.1
0
0 0.6 0.2 1.0 0 1.1 0.8 0.9 0 1.2 0.4 0.4 0.1 0.6 0.1 0
[1] 3b66.a 1.1 0.7 1.0 0.2 0.4 0.1 0.1 0.2 0.1 0.5 0.5 0.5 2.4 0.6 2.3 0.5 0.8 0.2 0
0
0.5 0.2 0.9 0 0.9 0.7 1.1 0 1.1 0.7 0.5 0.2 0.6 0.1 0.1
[1] 3b67.a 1.1 0.9 1.1 0.4 0.6 0 0.1 0.1 0 0.5 0.6 0.6 2.4 0.8 2.2 0.7 0.5 0.2 0.1 0.2
0
0.2 0.8 0.2 0.3 0.7 1.1 0 1.1 0.6 0.3 0.3 0.9 0.1 0.1
[1] 3b68.a 1.6 0.9 1.2 0.1 0.3 0 0.1 0.2 0 0.5 0.4 0.4 2.6 0.5 2.4 0.8 0.7 0.2 0 0.1 0.3
0
0.8 0.2 1.1 0.9 1.0 0 0.7 0.5 0.2 0.1 0.6 0.1 0
[1] 3g0w.a 1.0 0.7 0.3 0.2 0.5 1.7 2.2 0 1.7 0.1 0 0 2.1 0.7 2.9 0.9 0.8 1.7 2.1 2.2 2.1 1.7
0
2.0 3.4 1.1 0.7 0 1.8 0.1 0 0 0.3 0 0
[1] 3rlj.a 1.6 0.9 1.2 0.3 0.4 0.1 0.2 0.4 0.1 0.5 0.5 0.5 2.3 0.6 2.5 0.8 0.8 0.1 0 0 0.6 0.3 1.1
0
0.9 0.7 0.7 0.1 1.3 0.4 0.5 0.2 0.6 0.1 0.1
[1] 3rll.a 1.2 0.6 0.9 0.3 0.8 0.1 0.1 0.5 0.1 1.0 0.6 0.6 1.7 0.6 2.6 0.5 0.5 0.2 0 0.1 0.1 0.7 1.6 0.1
0
0.7 0.7 0 1.5 0.7 0.6 0.2 0.6 0.1 0.1
[1] 3v49.a 1.7 0.9 0.3 0.1 0.4 2.0 2.9 0 2.1 0.1 0 0.1 2.0 0.4 4.1 0.6 0.6 1.9 2.0 2.4 2.7 2.3 0 2.0 3.3
0
0.1 0 2.9 0.1 0 0 0 0.1 0
[1] 3v4a.a 1.0 0.4 0.2 0.2 0.8 1.9 2.6 0 1.9 0 0 0 2.2 0.3 3.7 0.2 0.2 1.7 1.7 2.2 2.2 2.1 0.1 1.6 2.3 0.1
0
0 2.4 0.1 0 0.1 0.1 0 0
[1] 4oha.a 1.6 0.9 1.1 0.2 0.5 2.0 2.5 0.3 2.1 0.2 0.5 0.6 2.2 0.9 2.5 1.0 0.8 2.0 2.2 2.4 2.3 2.3 0.6 2.2 3.5 1.1 0.9
0
2.3 0.6 0.3 0.3 0.5 0.1 0
[1] 4ojb.a 1.5 1.0 0.8 0.1 0.7 0.2 0.2 0.1 0.1 0.2 0.4 0.5 2.3 0.6 0.8 0.8 0.7 0.4 0.1 0.2 0.3 0.4 0.5 0.3 1.1 0.9 1.0 0
0.1
0.4 0.4 0.1 0.7 0.1 0
[1] 4ql8.a 1.4 0.7 0.7 0.2 0.4 1.8 2.2 0.1 2.0 0.2 0.1 0 2.0 0.5 3.5 0.8 0.7 2.6 2.4 2.5 2.4 2.7 0.1 2.5 3.3 1.6 1.2 0.1 2.7
0
0.1 0 0.1 0.1 0
[1] 5cj6.a 1.4 0.9 0.4 0.1 0.5 1.7 2.3 0.5 1.8 0.5 0.1 0 2.1 0.7 2.9 0.9 0.8 2.3 2.3 2.1 2.3 2.1 0.6 2.0 3.3 1.8 1.4 0.1 2.9 0.4
0
0 0.3 0.1 0
[1] 5t8e.a 1.4 0.8 1.2 0.2 0.8 2.2 2.7 0.4 2.4 0.3 0.1 0 2.3 0.5 2.8 0.9 0.8 2.5 2.7 2.4 2.4 2.4 0.2 2.4 3.3 1.5 1.2 0.1 2.8 0.1 0.1
0
0.3 0 0
[1] 5t8j.a 1.3 0.8 0.7 0.1 0.4 2.1 2.3 0.3 2.2 0.2 0.2 0.1 2.7 0.4 2.6 0.6 0.6 2.4 2.4 2.2 2.2 2.4 0.3 2.4 3.2 1.2 1.2 0.2 2.0 0.1 0.1 0
0
0 0
[1] 5v8q.a 1.5 0.8 0.7 0.3 0.5 1.9 2.1 0.5 2.0 0.5 0.2 0.1 2.4 0.5 3.3 0.7 0.7 1.9 2.5 2.4 2.3 2.4 0.7 2.1 2.9 2.2 1.6 0.2 3.3 0.2 0 0 0.5
0
0
[1] 5vo4.a 1.3 0.8 0.9 0.1 0.9 2.8 3.8 0.6 3.0 0.6 0.2 0.1 1.9 0.5 4.1 0.6 0.6 3.3 3.6 4.0 4.0 4.5 0.8 3.7 4.5 1.7 1.9 0.3 4.4 0.4 0.2 0 0.2 0.1
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (1 cluster)

Pockets (x) vs pockets (y) colored by ligand clash profile difference

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥1.
.9
.8
.7
.6
.5
.4
.3
.2
.1
.0
1gs4.a
1i38.a
1xnn.a
1xow.a
2amb.a
2ax7.a
2ax8.a
2ax9.a
2axa.a
2hvc.a
2ihq.a
2nw4.a
2oz7.a
2pip.l
2pnu.a
2q7k.a
2ylo.a
3b5r.a
3b65.a
3b66.a
3b67.a
3b68.a
3g0w.a
3rlj.a
3rll.a
3v49.a
3v4a.a
4oha.a
4ojb.a
4ql8.a
5cj6.a
5t8e.a
5t8j.a
5v8q.a
5vo4.a
[1] 1gs4.a
0
.13 .24 .19 .22 .24 .27 .23 .26 .12 .28 .25 .19 .14 .23 .12 .14 .29 .28 .27 .25 .27 .22 .28 .26 .22 .20 .20 .30 .19 .28 .21 .19 .24 .16
[1] 1i38.a .13
0
.22 .14 .21 .21 .24 .22 .22 .13 .23 .23 .11 .10 .22 .07 .08 .24 .23 .23 .20 .22 .23 .22 .20 .21 .18 .19 .30 .19 .23 .17 .19 .19 .13
[1] 1xnn.a .24 .22
0
.14 .12 .10 .17 .13 .11 .19 .09 .10 .15 .22 .18 .21 .19 .12 .11 .11 .16 .13 .11 .13 .14 .20 .21 .13 .21 .12 .08 .10 .09 .09 .16
[1] 1xow.a .19 .14 .14
0
.11 .13 .19 .11 .13 .12 .13 .14 .12 .16 .19 .14 .14 .12 .14 .13 .16 .13 .14 .13 .18 .17 .18 .11 .20 .13 .10 .10 .14 .10 .11
[1] 2amb.a .22 .21 .12 .11
0
.15 .19 .10 .17 .14 .13 .12 .18 .15 .13 .20 .18 .14 .14 .14 .19 .15 .09 .14 .19 .13 .17 .11 .18 .08 .11 .09 .08 .08 .14
[1] 2ax7.a .24 .21 .10 .13 .15
0
.17 .10 .04 .18 .12 .16 .16 .25 .19 .20 .21 .07 .05 .06 .10 .08 .14 .06 .10 .18 .20 .10 .16 .17 .11 .13 .14 .14 .18
[1] 2ax8.a .27 .24 .17 .19 .19 .17
0
.13 .13 .17 .18 .24 .22 .29 .19 .26 .28 .17 .19 .15 .15 .15 .19 .17 .17 .26 .25 .16 .08 .19 .21 .19 .14 .20 .24
[1] 2ax9.a .23 .22 .13 .11 .10 .10 .13
0
.09 .13 .13 .15 .20 .21 .16 .21 .23 .09 .11 .10 .12 .08 .10 .10 .16 .20 .20 .06 .11 .13 .11 .14 .12 .12 .20
[1] 2axa.a .26 .22 .11 .13 .17 .04 .13 .09
0
.17 .11 .16 .17 .26 .17 .21 .22 .06 .07 .05 .07 .07 .15 .06 .08 .21 .22 .11 .13 .18 .12 .15 .15 .15 .19
[1] 2hvc.a .12 .13 .19 .12 .14 .18 .17 .13 .17
0
.20 .18 .14 .16 .14 .13 .14 .19 .19 .18 .16 .18 .15 .18 .16 .20 .16 .12 .21 .12 .19 .13 .11 .16 .13
[1] 2ihq.a .28 .23 .09 .13 .13 .12 .18 .13 .11 .20
0
.07 .20 .23 .14 .24 .20 .13 .13 .12 .15 .14 .12 .14 .15 .18 .18 .17 .18 .13 .05 .10 .12 .08 .16
[1] 2nw4.a .25 .23 .10 .14 .12 .16 .24 .15 .16 .18 .07
0
.21 .21 .19 .23 .19 .16 .17 .17 .21 .18 .13 .17 .20 .20 .20 .19 .23 .11 .08 .10 .13 .07 .14
[1] 2oz7.a .19 .11 .15 .12 .18 .16 .22 .20 .17 .14 .20 .21
0
.20 .22 .14 .16 .17 .17 .18 .17 .20 .22 .16 .14 .22 .18 .18 .30 .19 .19 .17 .19 .18 .16
[1] 2pip.l .14 .10 .22 .16 .15 .25 .29 .21 .26 .16 .23 .21 .20
0
.16 .08 .06 .27 .27 .26 .24 .26 .17 .26 .27 .16 .14 .20 .28 .16 .19 .18 .17 .18 .13
[1] 2pnu.a .23 .22 .18 .19 .13 .19 .19 .16 .17 .14 .14 .19 .22 .16
0
.21 .18 .18 .17 .15 .13 .15 .11 .16 .15 .17 .13 .19 .15 .14 .14 .16 .13 .15 .20
[1] 2q7k.a .12 .07 .21 .14 .20 .20 .26 .21 .21 .13 .24 .23 .14 .08 .21
0
.06 .23 .22 .21 .20 .22 .19 .22 .21 .18 .16 .20 .27 .18 .22 .17 .19 .19 .13
[1] 2ylo.a .14 .08 .19 .14 .18 .21 .28 .23 .22 .14 .20 .19 .16 .06 .18 .06
0
.24 .23 .22 .20 .23 .18 .22 .23 .17 .14 .22 .30 .15 .18 .14 .17 .15 .10
[1] 3b5r.a .29 .24 .12 .12 .14 .07 .17 .09 .06 .19 .13 .16 .17 .27 .18 .23 .24
0
.03 .04 .08 .05 .15 .02 .10 .18 .22 .12 .15 .19 .11 .15 .16 .14 .20
[1] 3b65.a .28 .23 .11 .14 .14 .05 .19 .11 .07 .19 .13 .17 .17 .27 .17 .22 .23 .03
0
.04 .09 .06 .13 .02 .08 .17 .21 .11 .15 .17 .11 .14 .16 .13 .20
[1] 3b66.a .27 .23 .11 .13 .14 .06 .15 .10 .05 .18 .12 .17 .18 .26 .15 .21 .22 .04 .04
0
.06 .04 .14 .04 .09 .18 .21 .12 .13 .18 .11 .15 .14 .14 .19
[1] 3b67.a .25 .20 .16 .16 .19 .10 .15 .12 .07 .16 .15 .21 .17 .24 .13 .20 .20 .08 .09 .06
0
.06 .17 .07 .06 .22 .19 .14 .16 .21 .16 .18 .17 .17 .21
[1] 3b68.a .27 .22 .13 .13 .15 .08 .15 .08 .07 .18 .14 .18 .20 .26 .15 .22 .23 .05 .06 .04 .06
0
.14 .06 .11 .19 .21 .10 .13 .17 .13 .14 .14 .14 .21
[1] 3g0w.a .22 .23 .11 .14 .09 .14 .19 .10 .15 .15 .12 .13 .22 .17 .11 .19 .18 .15 .13 .14 .17 .14
0
.14 .20 .14 .16 .12 .16 .07 .10 .11 .09 .11 .18
[1] 3rlj.a .28 .22 .13 .13 .14 .06 .17 .10 .06 .18 .14 .17 .16 .26 .16 .22 .22 .02 .02 .04 .07 .06 .14
0
.08 .17 .21 .12 .16 .18 .11 .16 .15 .14 .19
[1] 3rll.a .26 .20 .14 .18 .19 .10 .17 .16 .08 .16 .15 .20 .14 .27 .15 .21 .23 .10 .08 .09 .06 .11 .20 .08
0
.23 .21 .16 .19 .22 .17 .19 .19 .18 .22
[1] 3v49.a .22 .21 .20 .17 .13 .18 .26 .20 .21 .20 .18 .20 .22 .16 .17 .18 .17 .18 .17 .18 .22 .19 .14 .17 .23
0
.09 .19 .22 .16 .19 .15 .16 .18 .16
[1] 3v4a.a .20 .18 .21 .18 .17 .20 .25 .20 .22 .16 .18 .20 .18 .14 .13 .16 .14 .22 .21 .21 .19 .21 .16 .21 .21 .09
0
.21 .23 .16 .19 .16 .17 .16 .17
[1] 4oha.a .20 .19 .13 .11 .11 .10 .16 .06 .11 .12 .17 .19 .18 .20 .19 .20 .22 .12 .11 .12 .14 .10 .12 .12 .16 .19 .21
0
.15 .13 .15 .13 .12 .15 .20
[1] 4ojb.a .30 .30 .21 .20 .18 .16 .08 .11 .13 .21 .18 .23 .30 .28 .15 .27 .30 .15 .15 .13 .16 .13 .16 .16 .19 .22 .23 .15
0
.19 .19 .20 .18 .20 .27
[1] 4ql8.a .19 .19 .12 .13 .08 .17 .19 .13 .18 .12 .13 .11 .19 .16 .14 .18 .15 .19 .17 .18 .21 .17 .07 .18 .22 .16 .16 .13 .19
0
.12 .09 .07 .09 .15
[1] 5cj6.a .28 .23 .08 .10 .11 .11 .21 .11 .12 .19 .05 .08 .19 .19 .14 .22 .18 .11 .11 .11 .16 .13 .10 .11 .17 .19 .19 .15 .19 .12
0
.10 .11 .07 .14
[1] 5t8e.a .21 .17 .10 .10 .09 .13 .19 .14 .15 .13 .10 .10 .17 .18 .16 .17 .14 .15 .14 .15 .18 .14 .11 .16 .19 .15 .16 .13 .20 .09 .10
0
.07 .06 .11
[1] 5t8j.a .19 .19 .09 .14 .08 .14 .14 .12 .15 .11 .12 .13 .19 .17 .13 .19 .17 .16 .16 .14 .17 .14 .09 .15 .19 .16 .17 .12 .18 .07 .11 .07
0
.09 .14
[1] 5v8q.a .24 .19 .09 .10 .08 .14 .20 .12 .15 .16 .08 .07 .18 .18 .15 .19 .15 .14 .13 .14 .17 .14 .11 .14 .18 .18 .16 .15 .20 .09 .07 .06 .09
0
.11
[1] 5vo4.a .16 .13 .16 .11 .14 .18 .24 .20 .19 .13 .16 .14 .16 .13 .20 .13 .10 .20 .20 .19 .21 .21 .18 .19 .22 .16 .17 .20 .27 .15 .14 .11 .14 .11
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.9 Å)

Pockets (x) vs pockets (y) colored by RMSD of site residue backbone atoms

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
1gs4.a
1i38.a
1xnn.a
1xow.a
2amb.a
2ax7.a
2ax8.a
2ax9.a
2axa.a
2hvc.a
2ihq.a
2nw4.a
2oz7.a
2pip.l
2pnu.a
2q7k.a
2ylo.a
3b5r.a
3b65.a
3b66.a
3b67.a
3b68.a
3g0w.a
3rlj.a
3rll.a
3v49.a
3v4a.a
4oha.a
4ojb.a
4ql8.a
5cj6.a
5t8e.a
5t8j.a
5v8q.a
5vo4.a
[1] 1gs4.a
0
0.3 0.4 0.3 0.4 0.4 0.4 0.4 0.5 0.3 0.4 0.5 0.6 0.3 0.5 0.3 0.3 0.6 0.6 0.6 0.4 0.6 0.4 0.6 0.4 0.9 0.8 0.4 0.4 0.4 0.4 0.3 0.4 0.4 0.3
[1] 1i38.a 0.3
0
0.4 0.3 0.4 0.4 0.4 0.4 0.5 0.3 0.3 0.4 0.6 0.3 0.5 0.2 0.3 0.6 0.6 0.6 0.5 0.7 0.4 0.6 0.4 0.9 0.8 0.3 0.4 0.3 0.4 0.3 0.4 0.3 0.3
[1] 1xnn.a 0.4 0.4
0
0.3 0.3 0.4 0.3 0.3 0.5 0.4 0.3 0.4 0.4 0.4 0.5 0.4 0.4 0.6 0.6 0.6 0.4 0.7 0.5 0.6 0.3 0.9 0.8 0.4 0.4 0.4 0.3 0.3 0.3 0.3 0.3
[1] 1xow.a 0.3 0.3 0.3
0
0.2 0.4 0.3 0.3 0.4 0.4 0.3 0.3 0.5 0.3 0.4 0.3 0.3 0.5 0.5 0.5 0.4 0.6 0.4 0.6 0.3 0.9 0.8 0.3 0.4 0.3 0.2 0.3 0.3 0.3 0.2
[1] 2amb.a 0.4 0.4 0.3 0.2
0
0.5 0.5 0.4 0.5 0.5 0.4 0.4 0.6 0.4 0.4 0.4 0.4 0.6 0.6 0.5 0.5 0.6 0.4 0.6 0.4 0.9 0.8 0.5 0.5 0.4 0.3 0.4 0.4 0.3 0.4
[1] 2ax7.a 0.4 0.4 0.4 0.4 0.5
0
0.3 0.2 0.2 0.5 0.3 0.5 0.6 0.4 0.5 0.4 0.4 0.3 0.3 0.3 0.3 0.4 0.3 0.3 0.3 0.7 0.6 0.3 0.3 0.4 0.4 0.4 0.4 0.5 0.4
[1] 2ax8.a 0.4 0.4 0.3 0.3 0.5 0.3
0
0.2 0.3 0.3 0.3 0.4 0.5 0.4 0.5 0.3 0.4 0.5 0.4 0.4 0.2 0.5 0.4 0.5 0.3 0.8 0.7 0.2 0.3 0.3 0.4 0.3 0.4 0.3 0.3
[1] 2ax9.a 0.4 0.4 0.3 0.3 0.4 0.2 0.2
0
0.3 0.4 0.2 0.3 0.6 0.4 0.5 0.3 0.4 0.5 0.4 0.4 0.3 0.5 0.2 0.5 0.3 0.8 0.7 0.2 0.2 0.2 0.3 0.3 0.3 0.3 0.3
[1] 2axa.a 0.5 0.5 0.5 0.4 0.5 0.2 0.3 0.3
0
0.5 0.4 0.5 0.6 0.5 0.5 0.4 0.5 0.2 0.2 0.2 0.3 0.3 0.3 0.2 0.3 0.6 0.5 0.3 0.3 0.4 0.4 0.5 0.5 0.5 0.5
[1] 2hvc.a 0.3 0.3 0.4 0.4 0.5 0.5 0.3 0.4 0.5
0
0.3 0.4 0.5 0.3 0.5 0.3 0.4 0.6 0.6 0.6 0.4 0.6 0.4 0.6 0.4 0.9 0.8 0.3 0.4 0.3 0.4 0.4 0.5 0.4 0.4
[1] 2ihq.a 0.4 0.3 0.3 0.3 0.4 0.3 0.3 0.2 0.4 0.3
0
0.3 0.6 0.3 0.4 0.3 0.4 0.5 0.5 0.4 0.3 0.5 0.3 0.5 0.3 0.8 0.7 0.2 0.3 0.2 0.2 0.3 0.3 0.3 0.3
[1] 2nw4.a 0.5 0.4 0.4 0.3 0.4 0.5 0.4 0.3 0.5 0.4 0.3
0
0.6 0.4 0.6 0.4 0.4 0.6 0.6 0.6 0.5 0.7 0.4 0.7 0.5 0.9 0.8 0.4 0.4 0.3 0.4 0.3 0.3 0.3 0.3
[1] 2oz7.a 0.6 0.6 0.4 0.5 0.6 0.6 0.5 0.6 0.6 0.5 0.6 0.6
0
0.6 0.6 0.6 0.6 0.7 0.7 0.7 0.5 0.8 0.7 0.7 0.4 0.9 0.9 0.6 0.6 0.6 0.6 0.6 0.6 0.6 0.5
[1] 2pip.l 0.3 0.3 0.4 0.3 0.4 0.4 0.4 0.4 0.5 0.3 0.3 0.4 0.6
0
0.5 0.2 0.2 0.6 0.6 0.5 0.4 0.6 0.4 0.6 0.4 0.9 0.8 0.4 0.4 0.3 0.3 0.3 0.4 0.3 0.2
[1] 2pnu.a 0.5 0.5 0.5 0.4 0.4 0.5 0.5 0.5 0.5 0.5 0.4 0.6 0.6 0.5
0
0.5 0.5 0.5 0.5 0.5 0.4 0.5 0.4 0.5 0.4 0.8 0.7 0.4 0.4 0.5 0.4 0.5 0.5 0.5 0.5
[1] 2q7k.a 0.3 0.2 0.4 0.3 0.4 0.4 0.3 0.3 0.4 0.3 0.3 0.4 0.6 0.2 0.5
0
0.2 0.6 0.5 0.5 0.4 0.6 0.4 0.6 0.4 0.9 0.7 0.3 0.4 0.3 0.4 0.3 0.4 0.3 0.2
[1] 2ylo.a 0.3 0.3 0.4 0.3 0.4 0.4 0.4 0.4 0.5 0.4 0.4 0.4 0.6 0.2 0.5 0.2
0
0.5 0.5 0.5 0.4 0.6 0.4 0.6 0.4 0.8 0.7 0.3 0.4 0.4 0.4 0.4 0.4 0.4 0.3
[1] 3b5r.a 0.6 0.6 0.6 0.5 0.6 0.3 0.5 0.5 0.2 0.6 0.5 0.6 0.7 0.6 0.5 0.6 0.5
0
0.1 0.1 0.4 0.3 0.5 0.1 0.5 0.6 0.5 0.5 0.4 0.5 0.5 0.6 0.6 0.6 0.6
[1] 3b65.a 0.6 0.6 0.6 0.5 0.6 0.3 0.4 0.4 0.2 0.6 0.5 0.6 0.7 0.6 0.5 0.5 0.5 0.1
0
0.1 0.3 0.3 0.4 0.1 0.4 0.5 0.5 0.5 0.4 0.5 0.5 0.6 0.6 0.6 0.6
[1] 3b66.a 0.6 0.6 0.6 0.5 0.5 0.3 0.4 0.4 0.2 0.6 0.4 0.6 0.7 0.5 0.5 0.5 0.5 0.1 0.1
0
0.3 0.3 0.4 0.2 0.4 0.6 0.5 0.4 0.4 0.5 0.5 0.5 0.5 0.6 0.5
[1] 3b67.a 0.4 0.5 0.4 0.4 0.5 0.3 0.2 0.3 0.3 0.4 0.3 0.5 0.5 0.4 0.4 0.4 0.4 0.4 0.3 0.3
0
0.4 0.4 0.4 0.3 0.7 0.6 0.3 0.3 0.4 0.4 0.4 0.5 0.4 0.4
[1] 3b68.a 0.6 0.7 0.7 0.6 0.6 0.4 0.5 0.5 0.3 0.6 0.5 0.7 0.8 0.6 0.5 0.6 0.6 0.3 0.3 0.3 0.4
0
0.5 0.3 0.5 0.7 0.7 0.5 0.4 0.6 0.5 0.6 0.6 0.7 0.6
[1] 3g0w.a 0.4 0.4 0.5 0.4 0.4 0.3 0.4 0.2 0.3 0.4 0.3 0.4 0.7 0.4 0.4 0.4 0.4 0.5 0.4 0.4 0.4 0.5
0
0.5 0.4 0.7 0.6 0.3 0.3 0.3 0.3 0.4 0.4 0.4 0.4
[1] 3rlj.a 0.6 0.6 0.6 0.6 0.6 0.3 0.5 0.5 0.2 0.6 0.5 0.7 0.7 0.6 0.5 0.6 0.6 0.1 0.1 0.2 0.4 0.3 0.5
0
0.5 0.5 0.4 0.5 0.5 0.6 0.6 0.6 0.6 0.6 0.6
[1] 3rll.a 0.4 0.4 0.3 0.3 0.4 0.3 0.3 0.3 0.3 0.4 0.3 0.5 0.4 0.4 0.4 0.4 0.4 0.5 0.4 0.4 0.3 0.5 0.4 0.5
0
0.8 0.7 0.3 0.3 0.4 0.4 0.4 0.4 0.4 0.4
[1] 3v49.a 0.9 0.9 0.9 0.9 0.9 0.7 0.8 0.8 0.6 0.9 0.8 0.9 0.9 0.9 0.8 0.9 0.8 0.6 0.5 0.6 0.7 0.7 0.7 0.5 0.8
0
0.2 0.8 0.8 0.8 0.9 0.9 0.9 0.9 0.9
[1] 3v4a.a 0.8 0.8 0.8 0.8 0.8 0.6 0.7 0.7 0.5 0.8 0.7 0.8 0.9 0.8 0.7 0.7 0.7 0.5 0.5 0.5 0.6 0.7 0.6 0.4 0.7 0.2
0
0.7 0.7 0.7 0.8 0.8 0.7 0.8 0.8
[1] 4oha.a 0.4 0.3 0.4 0.3 0.5 0.3 0.2 0.2 0.3 0.3 0.2 0.4 0.6 0.4 0.4 0.3 0.3 0.5 0.5 0.4 0.3 0.5 0.3 0.5 0.3 0.8 0.7
0
0.2 0.3 0.3 0.3 0.4 0.3 0.3
[1] 4ojb.a 0.4 0.4 0.4 0.4 0.5 0.3 0.3 0.2 0.3 0.4 0.3 0.4 0.6 0.4 0.4 0.4 0.4 0.4 0.4 0.4 0.3 0.4 0.3 0.5 0.3 0.8 0.7 0.2
0
0.3 0.3 0.4 0.4 0.4 0.4
[1] 4ql8.a 0.4 0.3 0.4 0.3 0.4 0.4 0.3 0.2 0.4 0.3 0.2 0.3 0.6 0.3 0.5 0.3 0.4 0.5 0.5 0.5 0.4 0.6 0.3 0.6 0.4 0.8 0.7 0.3 0.3
0
0.3 0.3 0.3 0.3 0.3
[1] 5cj6.a 0.4 0.4 0.3 0.2 0.3 0.4 0.4 0.3 0.4 0.4 0.2 0.4 0.6 0.3 0.4 0.4 0.4 0.5 0.5 0.5 0.4 0.5 0.3 0.6 0.4 0.9 0.8 0.3 0.3 0.3
0
0.3 0.3 0.3 0.3
[1] 5t8e.a 0.3 0.3 0.3 0.3 0.4 0.4 0.3 0.3 0.5 0.4 0.3 0.3 0.6 0.3 0.5 0.3 0.4 0.6 0.6 0.5 0.4 0.6 0.4 0.6 0.4 0.9 0.8 0.3 0.4 0.3 0.3
0
0.2 0.2 0.2
[1] 5t8j.a 0.4 0.4 0.3 0.3 0.4 0.4 0.4 0.3 0.5 0.5 0.3 0.3 0.6 0.4 0.5 0.4 0.4 0.6 0.6 0.5 0.5 0.6 0.4 0.6 0.4 0.9 0.7 0.4 0.4 0.3 0.3 0.2
0
0.3 0.3
[1] 5v8q.a 0.4 0.3 0.3 0.3 0.3 0.5 0.3 0.3 0.5 0.4 0.3 0.3 0.6 0.3 0.5 0.3 0.4 0.6 0.6 0.6 0.4 0.7 0.4 0.6 0.4 0.9 0.8 0.3 0.4 0.3 0.3 0.2 0.3
0
0.2
[1] 5vo4.a 0.3 0.3 0.3 0.2 0.4 0.4 0.3 0.3 0.5 0.4 0.3 0.3 0.5 0.2 0.5 0.2 0.3 0.6 0.6 0.5 0.4 0.6 0.4 0.6 0.4 0.9 0.8 0.3 0.4 0.3 0.3 0.2 0.3 0.2
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.4 Å)

Pockets (x) vs pockets (y) colored by RMSD of all site residue atoms

zoom: [−] [+]; [view as image]; [download as text]

pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
1gs4.a
1i38.a
1xnn.a
1xow.a
2amb.a
2ax7.a
2ax8.a
2ax9.a
2axa.a
2hvc.a
2ihq.a
2nw4.a
2oz7.a
2pip.l
2pnu.a
2q7k.a
2ylo.a
3b5r.a
3b65.a
3b66.a
3b67.a
3b68.a
3g0w.a
3rlj.a
3rll.a
3v49.a
3v4a.a
4oha.a
4ojb.a
4ql8.a
5cj6.a
5t8e.a
5t8j.a
5v8q.a
5vo4.a
[1] 1gs4.a
0
0.7 1.1 0.9 1.0 1.1 0.8 0.9 1.1 1.0 1.1 1.1 1.1 0.7 1.1 0.8 0.6 1.2 1.2 1.1 1.0 1.2 0.9 1.2 1.1 1.2 1.0 0.9 0.9 0.9 0.9 0.9 0.9 1.0 0.9
[1] 1i38.a 0.7
0
0.9 0.9 1.0 1.0 0.8 0.9 1.1 1.1 0.9 0.9 1.0 0.7 1.1 0.7 0.7 1.1 1.1 1.1 1.0 1.1 1.0 1.1 1.0 1.2 1.0 1.0 0.9 0.9 0.9 0.9 1.0 0.9 0.8
[1] 1xnn.a 1.1 0.9
0
0.7 0.6 0.7 0.7 0.8 0.8 1.0 0.8 0.8 0.9 1.0 1.0 1.0 1.0 0.8 0.8 0.8 0.8 0.9 0.8 0.8 0.8 1.2 1.1 0.8 0.8 0.7 0.7 0.6 0.8 0.7 0.7
[1] 1xow.a 0.9 0.9 0.7
0
0.6 0.8 0.7 0.7 0.8 0.9 0.9 0.8 1.0 0.8 1.0 0.8 0.9 0.9 0.8 0.8 0.8 0.9 0.8 0.9 0.9 1.3 1.2 0.6 0.7 0.7 0.8 0.6 0.7 0.6 0.5
[1] 2amb.a 1.0 1.0 0.6 0.6
0
0.7 0.7 0.7 0.7 1.1 0.9 0.9 1.0 0.9 0.9 1.0 1.0 0.8 0.8 0.8 0.8 0.8 0.7 0.8 0.8 1.2 1.1 0.8 0.8 0.6 0.7 0.6 0.7 0.6 0.7
[1] 2ax7.a 1.1 1.0 0.7 0.8 0.7
0
0.5 0.6 0.2 1.0 0.9 0.9 1.0 1.1 1.0 1.0 1.1 0.3 0.3 0.3 0.3 0.4 0.7 0.3 0.5 1.1 1.0 0.7 0.6 0.8 0.7 0.7 0.8 0.7 0.8
[1] 2ax8.a 0.8 0.8 0.7 0.7 0.7 0.5
0
0.4 0.5 0.8 0.8 0.9 0.9 0.9 0.8 0.8 0.9 0.6 0.6 0.6 0.5 0.7 0.6 0.6 0.6 1.1 0.9 0.6 0.5 0.7 0.8 0.6 0.8 0.7 0.7
[1] 2ax9.a 0.9 0.9 0.8 0.7 0.7 0.6 0.4
0
0.6 0.9 1.0 1.0 1.0 1.0 0.9 1.0 1.0 0.7 0.7 0.7 0.6 0.8 0.5 0.8 0.8 1.1 1.0 0.5 0.6 0.6 0.8 0.7 0.7 0.7 0.7
[1] 2axa.a 1.1 1.1 0.8 0.8 0.7 0.2 0.5 0.6
0
1.1 0.9 0.9 1.0 1.1 1.0 1.1 1.1 0.2 0.2 0.2 0.3 0.4 0.7 0.3 0.6 1.1 1.0 0.8 0.6 0.8 0.8 0.7 0.9 0.8 0.9
[1] 2hvc.a 1.0 1.1 1.0 0.9 1.1 1.0 0.8 0.9 1.1
0
1.1 1.1 1.1 1.1 0.8 1.0 1.1 1.1 1.1 1.1 1.0 1.2 1.0 1.2 0.9 1.4 1.2 0.9 0.8 0.9 1.1 0.9 0.9 0.9 0.9
[1] 2ihq.a 1.1 0.9 0.8 0.9 0.9 0.9 0.8 1.0 0.9 1.1
0
0.6 1.2 0.9 1.1 0.9 1.0 1.0 1.0 1.0 0.9 1.0 0.9 1.0 1.0 1.2 1.1 0.9 0.8 0.9 0.9 0.8 0.9 0.8 0.9
[1] 2nw4.a 1.1 0.9 0.8 0.8 0.9 0.9 0.9 1.0 0.9 1.1 0.6
0
1.1 0.9 1.2 0.9 1.0 1.0 1.0 1.0 1.0 1.1 0.9 1.0 1.0 1.2 1.1 1.0 0.9 0.9 0.9 0.8 0.9 0.8 0.9
[1] 2oz7.a 1.1 1.0 0.9 1.0 1.0 1.0 0.9 1.0 1.0 1.1 1.2 1.1
0
1.2 1.1 1.1 1.1 1.0 1.0 1.0 0.9 1.1 1.1 1.0 0.8 1.3 1.2 1.1 1.1 1.0 1.1 1.0 1.1 1.1 1.0
[1] 2pip.l 0.7 0.7 1.0 0.8 0.9 1.1 0.9 1.0 1.1 1.1 0.9 0.9 1.2
0
1.1 0.6 0.6 1.2 1.2 1.2 1.1 1.2 0.9 1.2 1.1 1.2 1.1 0.9 0.8 0.9 1.0 0.9 0.9 0.9 0.8
[1] 2pnu.a 1.1 1.1 1.0 1.0 0.9 1.0 0.8 0.9 1.0 0.8 1.1 1.2 1.1 1.1
0
1.2 1.1 1.0 1.0 1.0 0.9 1.0 0.9 1.0 0.9 1.3 1.2 1.0 0.8 0.9 0.9 0.9 0.9 1.0 1.0
[1] 2q7k.a 0.8 0.7 1.0 0.8 1.0 1.0 0.8 1.0 1.1 1.0 0.9 0.9 1.1 0.6 1.2
0
0.7 1.1 1.1 1.1 1.1 1.2 1.0 1.1 1.1 1.2 1.1 0.9 0.8 1.0 1.0 0.9 0.9 0.9 0.7
[1] 2ylo.a 0.6 0.7 1.0 0.9 1.0 1.1 0.9 1.0 1.1 1.1 1.0 1.0 1.1 0.6 1.1 0.7
0
1.2 1.2 1.2 1.1 1.2 1.0 1.2 1.1 1.3 1.1 1.0 0.9 1.0 0.9 1.0 1.0 1.0 0.9
[1] 3b5r.a 1.2 1.1 0.8 0.9 0.8 0.3 0.6 0.7 0.2 1.1 1.0 1.0 1.0 1.2 1.0 1.1 1.2
0
0.2 0.1 0.5 0.3 0.8 0.2 0.7 1.0 0.9 0.8 0.7 0.9 0.8 0.8 1.0 0.9 0.9
[1] 3b65.a 1.2 1.1 0.8 0.8 0.8 0.3 0.6 0.7 0.2 1.1 1.0 1.0 1.0 1.2 1.0 1.1 1.2 0.2
0
0.2 0.5 0.4 0.8 0.1 0.6 1.0 0.9 0.8 0.7 0.9 0.8 0.8 1.0 0.9 0.9
[1] 3b66.a 1.1 1.1 0.8 0.8 0.8 0.3 0.6 0.7 0.2 1.1 1.0 1.0 1.0 1.2 1.0 1.1 1.2 0.1 0.2
0
0.4 0.3 0.7 0.2 0.6 1.1 1.0 0.8 0.7 0.9 0.8 0.8 0.9 0.8 0.9
[1] 3b67.a 1.0 1.0 0.8 0.8 0.8 0.3 0.5 0.6 0.3 1.0 0.9 1.0 0.9 1.1 0.9 1.1 1.1 0.5 0.5 0.4
0
0.5 0.7 0.5 0.4 1.1 1.0 0.7 0.7 0.8 0.8 0.7 0.9 0.8 0.8
[1] 3b68.a 1.2 1.1 0.9 0.9 0.8 0.4 0.7 0.8 0.4 1.2 1.0 1.1 1.1 1.2 1.0 1.2 1.2 0.3 0.4 0.3 0.5
0
0.8 0.4 0.7 1.1 1.1 0.8 0.7 0.9 0.8 0.9 1.0 0.9 1.0
[1] 3g0w.a 0.9 1.0 0.8 0.8 0.7 0.7 0.6 0.5 0.7 1.0 0.9 0.9 1.1 0.9 0.9 1.0 1.0 0.8 0.8 0.7 0.7 0.8
0
0.8 0.9 1.1 0.9 0.7 0.7 0.6 0.7 0.7 0.8 0.7 0.8
[1] 3rlj.a 1.2 1.1 0.8 0.9 0.8 0.3 0.6 0.8 0.3 1.2 1.0 1.0 1.0 1.2 1.0 1.1 1.2 0.2 0.1 0.2 0.5 0.4 0.8
0
0.7 1.0 0.9 0.8 0.8 0.9 0.8 0.8 1.0 0.9 0.9
[1] 3rll.a 1.1 1.0 0.8 0.9 0.8 0.5 0.6 0.8 0.6 0.9 1.0 1.0 0.8 1.1 0.9 1.1 1.1 0.7 0.6 0.6 0.4 0.7 0.9 0.7
0
1.3 1.1 0.9 0.8 0.9 0.9 0.8 0.9 0.9 0.9
[1] 3v49.a 1.2 1.2 1.2 1.3 1.2 1.1 1.1 1.1 1.1 1.4 1.2 1.2 1.3 1.2 1.3 1.2 1.3 1.0 1.0 1.1 1.1 1.1 1.1 1.0 1.3
0
0.5 1.2 1.1 1.2 1.2 1.2 1.2 1.2 1.3
[1] 3v4a.a 1.0 1.0 1.1 1.2 1.1 1.0 0.9 1.0 1.0 1.2 1.1 1.1 1.2 1.1 1.2 1.1 1.1 0.9 0.9 1.0 1.0 1.1 0.9 0.9 1.1 0.5
0
1.1 1.1 1.0 1.1 1.1 1.1 1.1 1.1
[1] 4oha.a 0.9 1.0 0.8 0.6 0.8 0.7 0.6 0.5 0.8 0.9 0.9 1.0 1.1 0.9 1.0 0.9 1.0 0.8 0.8 0.8 0.7 0.8 0.7 0.8 0.9 1.2 1.1
0
0.5 0.7 0.7 0.6 0.5 0.7 0.6
[1] 4ojb.a 0.9 0.9 0.8 0.7 0.8 0.6 0.5 0.6 0.6 0.8 0.8 0.9 1.1 0.8 0.8 0.8 0.9 0.7 0.7 0.7 0.7 0.7 0.7 0.8 0.8 1.1 1.1 0.5
0
0.8 0.8 0.7 0.7 0.7 0.7
[1] 4ql8.a 0.9 0.9 0.7 0.7 0.6 0.8 0.7 0.6 0.8 0.9 0.9 0.9 1.0 0.9 0.9 1.0 1.0 0.9 0.9 0.9 0.8 0.9 0.6 0.9 0.9 1.2 1.0 0.7 0.8
0
0.7 0.6 0.7 0.7 0.7
[1] 5cj6.a 0.9 0.9 0.7 0.8 0.7 0.7 0.8 0.8 0.8 1.1 0.9 0.9 1.1 1.0 0.9 1.0 0.9 0.8 0.8 0.8 0.8 0.8 0.7 0.8 0.9 1.2 1.1 0.7 0.8 0.7
0
0.6 0.7 0.6 0.7
[1] 5t8e.a 0.9 0.9 0.6 0.6 0.6 0.7 0.6 0.7 0.7 0.9 0.8 0.8 1.0 0.9 0.9 0.9 1.0 0.8 0.8 0.8 0.7 0.9 0.7 0.8 0.8 1.2 1.1 0.6 0.7 0.6 0.6
0
0.5 0.3 0.5
[1] 5t8j.a 0.9 1.0 0.8 0.7 0.7 0.8 0.8 0.7 0.9 0.9 0.9 0.9 1.1 0.9 0.9 0.9 1.0 1.0 1.0 0.9 0.9 1.0 0.8 1.0 0.9 1.2 1.1 0.5 0.7 0.7 0.7 0.5
0
0.6 0.6
[1] 5v8q.a 1.0 0.9 0.7 0.6 0.6 0.7 0.7 0.7 0.8 0.9 0.8 0.8 1.1 0.9 1.0 0.9 1.0 0.9 0.9 0.8 0.8 0.9 0.7 0.9 0.9 1.2 1.1 0.7 0.7 0.7 0.6 0.3 0.6
0
0.5
[1] 5vo4.a 0.9 0.8 0.7 0.5 0.7 0.8 0.7 0.7 0.9 0.9 0.9 0.9 1.0 0.8 1.0 0.7 0.9 0.9 0.9 0.9 0.8 1.0 0.8 0.9 0.9 1.3 1.1 0.6 0.7 0.7 0.7 0.5 0.6 0.5
0
[Binding site full-atom RMSD matrix]







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