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DYR_ECOLI_1_159

Dihydrofolate reductase [Dihydrofolate reductase family]

Composition of the binding site

Protein chains monomer [domain annotation]
A1 (DYR_ECOLI):D: DHFR (5:8, 14:20, 22, 23, 27:32, 42, 46, 47, 49:55, 57, 59, 61, 94:97, 100, 113, 146)5:8, 14:20, 22, 23, 27:32, 42, 46, 47, 49:55, 57, 59, 61, 94:97, 100, 113, 146
Cofactors (cF):nap/ndp

Full PDB list

1ddr, 1dds, 1dhi, 1dhj, 1dra, 1drb, 1dre, 1drh, 1dyh, 1dyi, 1dyj, 1jol, 1jom, 1ra1, 1ra2, 1ra3, 1ra8, 1ra9, 1rb2, 1rb3, 1rc4, 1rd7, 1re7, 1rf7, 1rg7, 1rh3, 1rx1, 1rx2, 1rx3, 1rx4, 1rx5, 1rx6, 1rx7, 1rx8, 1rx9, 1tdr, 2ano, 2anq, 2d0k, 2drc, 3dau, 3drc, 3k74, 3kfy, 3och, 3ql0, 3ql3, 3qyl, 3qyo, 3r33, 4dfr, 4eig, 4eiz, 4ej1, 4fhb, 4gh8, 4i13, 4i1n, 4kjj, 4kjk, 4kjl, 4nx6, 4nx7, 4or7, 4osg, 4p3q, 4p3r, 4p66, 4p68, 4pdj, 4pss, 5cc9, 5ccc, 5dfr, 5uih, 5uii, 5uio, 5uip, 5w3q, 6dfr (redundant Pocketome entry); 2inq, 4pst, 4psy, 4pth, 4ptj, 4qle, 4qlf, 4qlg, 4rgc, 4x5f, 4x5g, 4x5h, 4x5i, 4x5j, 5dxv, 5e8q, 5eaj, 5ujx, 7dfr (unprocessed)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 cF
I
5
A
6
A
7
L
8
I
1
4
G
1
5
M
1
6
E
1
7
N
1
8
A
1
9
M
2
0
N
2
3
D
2
7
L
2
8
A
2
9
W
3
0
F
3
1
K
3
2
M
4
2
T
4
6
W
4
7
S
4
9
I
5
0
.
5
0
A
G
5
1
R
5
2
L
5
4
R
5
7
I
6
1
I
9
4
G
9
5
G
9
6
Y
1
0
0
T
1
1
3
[1]1dhj.a mtx33 . . . . . . . . . . . . S . . . . . . . . . . - . . . . . . . . . .
[1]1dra.a mtx33 . . . . . . . . . . . . E . . . . . . . . . . - . . . . . . . . . .
[1]1drb.a mtx33 . . . . . . . . . . . . C . . . . . . . . . . - . . . . . . . . . .
[1]1drh.a none . . . . . . . . . . . . . . . . . . . . . . . - . . . . . . . . . . nap
[1]1dyh.a dzf32 . . . . . . . . . . . . . . . . . . . . . . . - . . . . . . . . . .
[1]1jom.a ffo34 . . . . . . . . . . . . . . . . . . . . . . . - . . . . . . . . . .
[1]1rf7.a dhf29 . . . . . . . . . . . . . . . . . . . . . . . - . . . . . . . . . .
[1]1rg7.a mtx33 . . . . . . . . . . . . . . . . . . . . . . . - . . . . . . . . . .
[1]1rx5.a ddf32 . . . . . . . . . . . . . . . . . . . . . . . - . . . . . . . . . .
[1]1tdr.a mtx,te34 . . . . . . . . . . . . . . . . . . . . . . . - . . . . . . . . . .
[1]2ano.a 81718 . . . . . . . . . . . . . . . . . . . . . . . - . . . . . . . . . . ndp
[1]2anq.a c1a24 . . . . . . . . . . . . . . . . . . . . . . . - . . . . . . . . . . ndp
[1]2d0k.a fol32 . . . . . . N . . . L . . . . . . . Y . . . . - . . . . . . . . . .
[1]2drc.a mtx33 . . . . . . . . . . . . . . . . . . . . . . . - . . . . . . . . . .
[1]3k74.a I-GIIT-TI50 . . . . . . . . . . . . . . . . . . . . . . . - . . . . . . . . . .
[1]3kfy.a jzm20 . . . . . . . . . . . . . . . . . . . . . . . - . . . . . . . . . . ndp
[1]3och.a 2mx75 . . . . . . . . . . . . . . . . . . . . . . . - . . . . . . . . . .
[1]3ql0.a fol32 . . . . . . . . . . . P . . . . . . . . . . . - . . . . . . . . . . nap
[1]3qyl.a 7me13 . . . . . . . . . . . . . . . . . . . . . . . - . . . . . . . . . . ndp
[1]3qyo.a q2412 . . . . . . . . . . . . . . . . . . . . . . . - . . . . . . . . . . ndp
[1]3r33.a 6me,ca,ca15 . . . . . . . . . . . . . . . . . . . . . . . - . . . . . . . . . . ndp
[1]4eig.a WY-YYC-GLAGPAYWG119 . . . . . . . . . . . . . . . . . . . . . . . - . . . . . . . . . .
[1]4gh8.b mtx33 . . . . . . . . . . . P . . . . . . . . . . . P N . . . . . . . . . ndp
[1]4i1n.a fol29 . . . . . . . . . . . . . . . . . . . . . . . - . . . . . . . . . .
[1]4or7.a 25u25 . . . . . . . . . . . . . . . . . . . . . . . - . . . . V . . . . . nap
[1]4osg.a 06u28 . . . . . . . . . . . . . . . . . . . . . . . - . . . . V . . . . . nap
[1]4p66.a mtx33 . . . . . . . . . . . . . . . . . . . * . . . - . . . . . . . . . . nap
[1]4p68.a mtx33 . . . . . . . . . . . . . . . . . . . . . . . - . . * . . . . . . . nap
[1]4pss.a fol32 M I S A . . . . . . . . . . . . . . . . . . . - . . - G . . . . . . nap
[1]5cc9.a ddf32 . . . . . . . . . . . . . F . . . . . . . . . - . . . . . . . . . . nap
[1]5uii.a bfr10 . . . . . . . . . . . . . . . . . . . . . . . - . . . . . . . . . . nap
[1]5uio.a 8dm,lg327 . . . . . . . . . . . . . . . . . . . . . . . - . . . . . . . . . . nap
[1]5w3q.a none . . . . . . . . . . . . . F . . . . . . . . . - . . . . . . . . . . ndp
[1]6dfr.a ca1 . . . . . . - - - - - . . . . . . . . . . . . - . . . . . . . . . . nap
[2]5uih.a 8cv15 . . . . . . . . . . . . . . . . . . . . . . . - . . . . . . . . . . nap

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 cF
I
5
A
6
A
7
L
8
I
1
4
G
1
5
M
1
6
E
1
7
N
1
8
A
1
9
M
2
0
W
2
2
N
2
3
D
2
7
L
2
8
A
2
9
W
3
0
F
3
1
K
3
2
M
4
2
T
4
6
W
4
7
S
4
9
I
5
0
.
5
0
A
.
5
0
B
.
5
0
C
G
5
1
R
5
2
P
5
3
L
5
4
P
5
5
R
5
7
N
5
9
I
6
1
I
9
4
G
9
5
G
9
6
G
9
7
Y
1
0
0
T
1
1
3
Q
1
4
6
[1]1dhj.a . . . . . . . . . * . . . S . . . . . * . . . * - - - . * . . . . . . . . . . . . .
[1]1dra.a . . . . . . . . . * . . . E . . . . . * . . . * - - - . * . . . . . . . . . . . . .
[1]1drb.a . . . . . . . . . * . . . C . . . . . * . . . * - - - . * . . . . . . . . . . . . .
[1]1drh.a . . . . . . . . . . * . . . . . . . . * . . . * - - - . . . . . . . . . . . . . . . nap
[1]1dyh.a . . . . . . . . . * . . . . . . . . . * . . . * - - - . * . . . . . . . . . . . . .
[1]1jom.a . . . . . . . . * . . . . . . . . . . * . . . * - - - . . . . . . . . . . . . . . .
[1]1rf7.a . . . . . . . * * . . . . . . . . . . * . . . * - - - . * . . . . . . . . . . . . .
[1]1rg7.a . . . . . . . * . * . . . . . . . . . * . . . * - - - . . . . . . . . . . . . . . .
[1]1rx5.a . . . . . . * * * . . . . . . . . . . * . . . * - - - . * . . . . . . . . . . . . .
[1]1tdr.a . . . . . . . . . * . . . . . . . . . * . . . * - - - . * . . . . . . . . . . . . .
[1]2ano.a . . . . . . . . . . * . . . . . . . . * . . . * - - - . . . . . . . . . . . . . . . ndp
[1]2anq.a . . . . . . . . . . * . . . . . . . . * . . . . - - - . . . . . . . . . . . . . . . ndp
[1]2d0k.a . . . . . . N . . . L . . . . . . . * Y . . . * - - - . * . . . . . . . . . . . . .
[1]2drc.a . . . . . . . . . * . F . . . . . . . * . . . * - - - . * . . . . . . . . . . . . .
[1]3k74.a . . . . . . . * * . . . . . * . . . . * . . . * - - - . . . . . . . . . . . . . . .
[1]3kfy.a . . . . . . . . . . . . . . . . . . . * . . . * - - - . . . . . . . . . . . . . . . ndp
[1]3och.a . . . . . . . . . * . . . . . . . . . * . . . * - - - . * . . . . . . . . . . . . .
[1]3ql0.a . . . . . . . . . . . . P . . . . . . * . . . * - - - . * . . . . . . . . . . . . . nap
[1]3qyl.a . . . . . . . . . . * . . . . . . . . * . . . * - - - . . . . . . . . . . . . . . . ndp
[1]3qyo.a . . . . . . . . . . * . . . . . . . . * . . . * - - - . . . . . . . . . . . . . . . ndp
[1]3r33.a . . . . . . . . . . * . . . . . . . . * . . . * - - - . . . . . . . . . . . . . . . ndp
[1]4eig.a . . . . . . . * * . . . . . . . . . . * . . . * - - - . . . . . . . . . . . . . . .
[1]4gh8.b . . . . . . . . . . . . P . . . . . . * . . . * P E K N . . . . . . . . . . . . . . ndp
[1]4i1n.a . . . . . . . * . . . . . . . . . . . * . . . * - - - . . . . . . . . . . . . . . .
[1]4or7.a . . . . . . . . . . * . . . . . . . . * . . . * - - - . * . . . . . V . . . . . . . nap
[1]4osg.a . . . . . . . . . . . . . . . . . . * * . . . . - - - . * . . . . . V . . . . . . . nap
[1]4p66.a . . . . . . . . . . * . . . . . . . . * * . . * - - - . . . . . . . . . . . . . . . nap
[1]4p68.a . . . . . . . . . . * . . . . . . . . * . . . * - - - . . . * . . . . . . . . . . . nap
[1]4pss.a M I S A . . . . . . * . . . * . . . . * . . . * - - - . . . - - G . . . . . . . . . nap
[1]5cc9.a . . . . . . . * . . . . . . F . . . . * . . . * - - - . . . . . . . . . . . . . . . nap
[1]5uii.a . . . . . . . . . . . . . . * . . . * * . . . * - - - . . . . . . . . . . . . . . . nap
[1]5uio.a . . . . . . . . . . . . . . . . . . . * . . * * - - - . * . . . . . . . . . . . . . nap
[1]5w3q.a . . . . . . . . . . * . . . F . . . . * . . . * - - - . . . . . . . . . . . . . . . ndp
[1]6dfr.a . . . . . . - - - - - . . . . . . . * * . . . * - - - . * . . . . . . . . . . . . . nap
[2]5uih.a . . . . . . * * . . . . . . . . . . * * . . . * - - - . . . . . . . . . . . . . . . nap

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
1dhj.a:mtx
1dra.a:mtx
1drb.a:mtx
1drh.a is apo
1dyh.a:dzf
1jom.a:ffo
1rf7.a:dhf
1rg7.a:mtx
1rx5.a:ddf
1tdr.a:mtx,te
2ano.a:817
2anq.a:c1a
2d0k.a:fol
2drc.a:mtx
3k74.a:I-GIIT-TI
3kfy.a:jzm
3och.a:2mx
3ql0.a:fol
3qyl.a:7me
3qyo.a:q24
3r33.a:6me,ca
4eig.a:WY-YYC-GLAGPAYWG
4gh8.b:mtx
4i1n.a:fol
4or7.a:25u
4osg.a:06u
4p66.a:mtx
4p68.a:mtx
4pss.a:fol
5cc9.a:ddf
5uii.a:bfr
5uio.a:8dm,lg3
5w3q.a is apo
6dfr.a:ca
5uih.a:8cv
[1] 1dhj.a
0
0 0 - 0 0.2 0.1 0.1 0.1 1.9 0.4 0.9 0.4 0.1 0 0.8 0.1 0.1 0 0 0.9 2.6 0 0.1 0.7 2.5 0.1 0.1 0.2 0.4 0.1 0 - 0 0.1
[1] 1dra.a 0.2
0.1
0 - 0.7 0.7 0.6 0.2 0.4 2.1 0.8 0.8 0.8 0.2 0.1 1.2 0.2 0.4 0.1 0.1 0.8 2.6 0.1 0.8 0.6 2.9 0.1 0.1 0.3 0.9 0.1 0.2 - 0 0.2
[1] 1drb.a 0 0
0
- 0 0.2 0 0.1 0.1 1.9 0.3 0.9 0.3 0.1 0.1 0.6 0.1 0.1 0 0 0.9 2.2 0 0.1 0.4 2.5 0 0.1 0.1 0.4 0.1 0 - 0 0.1
[1] 1drh.a 0.4 0.4 0.3
-
0.5 1.2 0.5 0.3 0.5 1.9 0.4 0.1 0.4 0.4 0 1.1 0.5 0.6 0 0 0.1 0.4 0.3 0.5 0 2.1 0.2 0.1 0.6 0.9 0.1 0.2 - 0 0
[1] 1dyh.a 0.1 0 0 -
0
0 0 0.1 0.2 2.1 0.1 0.7 0.4 0.2 0 0.7 0 0.1 0.1 0.1 0.8 2.8 0 0.1 0.5 2.2 0.1 0.1 0.1 0.4 0.1 0 - 0 0.1
[1] 1jom.a 0.1 0.1 0.1 - 0.1
0.1
0.1 0.2 0 1.6 0.3 4.6 0.2 0.1 0 0.8 0.1 0.1 0.2 0.3 3.4 0.2 0.1 0.2 0.6 1.8 0.1 0 0 0.2 0.2 0 - 0 0.3
[1] 1rf7.a 0.2 0.1 0.1 - 0 0
0
0 0 1.8 0 6.3 0.1 0.2 0 0.7 0.1 0 0.3 0.3 2.8 2.9 0 0.1 0.3 2.0 0.2 0.1 0 0.4 0.1 0 - 0 0.3
[1] 1rg7.a 0.1 0 0 - 0.6 2.6 0.5
0.1
0.6 1.8 0.9 0.9 0.6 0.1 0 1.5 0.2 0.7 0.1 0.1 1.2 1.4 0.1 0.5 0.5 2.6 0 0 0.4 1.0 0.1 0.2 - 0 0.3
[1] 1rx5.a 0.2 0.2 0.2 - 0 0.1 0.1 0.4
0
1.7 1.1 6.5 0.2 0.2 0 0.7 0.2 0 0 0 4.5 1.9 0 0.2 0.3 1.5 0.1 0.1 0 0.4 0 0 - 0 0.1
[1] 1tdr.a 0.2 0.1 0.1 - 0.4 0.4 0.3 0.1 0.2
1.5
0.5 0.8 0.5 0.2 0 0.9 0.1 0.2 0 0 0.7 2.6 0 0.6 0.5 2.4 0.1 0.1 0.3 0.9 0 0.1 - 0 0.1
[1] 2ano.a 0.3 0.4 0.4 - 0.4 1.4 0.6 0.3 0.9 1.8
0.1
0 0.3 0.3 0 0.8 0.3 0.6 0.1 0.1 0.1 0.5 0.5 0.7 0.2 1.7 0.3 0.1 0.6 1.2 0 0.3 - 0 0.1
[1] 2anq.a 0.5 0.4 0.2 - 0.3 1.1 0.3 0.4 0.2 1.9 0.3
0
0.3 0.5 0 1.1 0.5 0.4 0.1 0 0.2 0.4 0.4 0.7 0.3 1.5 0.4 0.1 0.4 0.8 0 0.2 - 0 0.2
[1] 2d0k.a 0.5 0.5 0.5 - 0.5 0.4 0.7 0.4 1.0 2.8 0.1 0
0
0.5 0 0.7 0.5 1.4 0 0 0 0.8 0.5 0.5 0 1.3 0.2 0.2 1.6 1.2 0 1.0 - 0 0
[1] 2drc.a 0 0 0 - 0.3 0.3 0.3 0.1 0.3 2.0 0.3 0.8 0.5
0
0 1.0 0 0.3 0 0.1 0.9 2.4 0 0.6 0.5 2.7 0 0 0.3 0.9 0 0.2 - 0.1 0.1
[1] 3k74.a 0.7 0.5 0.5 - 1.4 1.3 0.7 1.0 0.9 2.7 0.1 4.2 0.8 1.0
0
0.6 1.2 1.6 0 0 3.2 0.9 1.7 1.0 0 1.5 0.6 0.7 1.5 0.9 0 1.0 - 0 0
[1] 3kfy.a 0.2 0.1 0.2 - 0.3 0.9 0.2 0.2 0.3 1.8 0.2 0 0.5 0.3 0
1.0
0.4 0.3 0 0 0.1 0.1 0.4 0.6 0 1.7 0.1 0.1 0.4 0.8 0 0.2 - 0 0.2
[1] 3och.a 0 0 0 - 0.3 0.3 0.3 0.1 0.2 1.9 0.5 1.0 0.6 0 0 1.1
0.1
0.3 0.2 0.1 1.1 2.7 0 0.6 1.0 3.2 0 0.1 0.3 0.9 0.1 0.1 - 0.1 0.3
[1] 3ql0.a 0.1 0 0.1 - 0 0.4 0 0.1 0 1.7 0.5 0.2 0.3 0.1 0 0.8 0
0
0.1 0.2 0.7 2.5 0 0.1 0.5 1.6 0 0 0 0.3 0 0 - 0 0.1
[1] 3qyl.a 0.6 0.5 0.4 - 0.6 1.4 0.6 0.5 0.6 2.5 0.5 0.5 1.0 0.7 0 1.6 0.7 0.8
0
0.1 0.6 0.5 0.6 0.9 0.2 2.4 0.5 0.2 0.6 1.1 0.1 0.7 - 0 0.2
[1] 3qyo.a 0.3 0.3 0.1 - 0.7 1.8 0.6 0.2 0.8 2.1 0.4 0 0.9 0.4 0 1.6 0.4 1.0 0
0
0.2 0.5 0.4 0.9 0.3 2.5 0.3 0.1 0.7 1.3 0.1 0.3 - 0 0.2
[1] 3r33.a 0.3 0.3 0.3 - 0.7 1.6 0.6 0.5 0.8 2.0 0.6 0.4 0.8 0.5 0 2.0 0.5 0.8 0 0.1
0.1
0.2 0.4 1.1 0.3 1.6 0.5 0.2 0.8 1.0 0.1 0.7 - 0 0.3
[1] 4eig.a 0.2 0.1 0.2 - 0.1 0.1 0.1 0 0 1.4 0.2 6.0 0 0.1 0 0.6 0.1 0.1 0.1 0.1 2.9
0
0.1 0.1 0 1.8 0.1 0 0 0.1 0.1 0 - 0 0
[1] 4gh8.b 0.2 0.3 0.1 - 0.3 0.5 0.3 0.1 0.2 1.8 0.6 0.3 0.4 0.2 0 1.3 0.5 0.4 0.1 0.1 0.4 6.8
0.1
0.6 0.3 1.8 0.2 0.2 0.3 0.8 0 0.2 - 0 0.1
[1] 4i1n.a 0 0 0 - 0.2 0.1 0 0.1 0 1.7 0.4 2.4 0.3 0.1 0 1.0 0.1 0 0.3 0.3 2.5 0.8 0.1
0
0.4 2.0 0.1 0 0 0.3 0.2 0 - 0 0.3
[1] 4or7.a 0.2 0.3 0.2 - 0.7 1.9 0.6 0.4 0.7 1.9 0.7 0.1 0.8 0.4 0 1.5 0.3 0.8 0 0 0.1 1.7 0.5 0.6
0
1.7 0.2 0.4 0.4 1.1 0.1 0.3 - 0 0.1
[1] 4osg.a 1.7 2.1 2.2 - 1.8 2.4 2.2 1.6 1.5 3.3 0.4 0.2 1.3 2.1 0 0.8 2.3 2.4 0 0 0 1.4 2.3 2.3 0.3
0.2
1.5 1.5 2.2 2.8 0 1.5 - 0 0
[1] 4p66.a 0.1 0 0 - 0.5 1.3 0.5 0.2 0.5 1.8 1.0 0.3 0.3 0.2 0 1.1 0.3 0.7 0.1 0.1 0.2 0.4 0.1 0.7 0.5 1.6
0
0 0.4 1.1 0.1 0.2 - 0.1 0.3
[1] 4p68.a 0.1 0 0 - 0.5 1.1 0.5 0 0.4 1.8 0.4 0 0.5 0.1 0 1.0 0.1 0.7 0 0 0.1 0.4 0.1 0.7 0.1 2.0 0
0
0.4 0.9 0 0.2 - 0 0
[1] 4pss.a 0.2 0.1 0.1 - 0.1 0.8 0.1 0.2 0.1 1.6 0.4 0.1 0.1 0.1 0 1.1 0.2 0.1 0.2 0.4 0.5 1.7 0.4 0.2 0.8 1.5 0.1 0.2
0
0.3 0 0 - 0 0.4
[1] 5cc9.a 0.1 0.1 0.1 - 0 0 0 0.1 0 1.5 0.4 4.0 0.1 0.1 0 0.6 0 0 0.1 0 1.8 0.3 0 0 0.3 2.1 0 0.2 0
0.2
0 0 - 0 0.1
[1] 5uii.a 1.6 1.5 1.6 - 1.2 1.4 1.7 1.4 1.6 3.4 0.3 0.1 1.2 1.6 0.1 0.9 1.3 2.3 0 0 0.1 0.2 2.0 1.8 0 1.9 0.9 1.1 2.4 2.1
0
1.9 - 0 0
[1] 5uio.a 0.3 0 0.1 - 0.5 0.3 0.4 0 0.2 2.0 0.6 1.0 0.9 0.2 0 1.1 0 0.2 0.1 0.1 1.0 2.8 0 0.3 0.9 2.7 0.2 0.4 0.2 0.4 0.1
0.1
- 0 0.3
[1] 5w3q.a 0.4 0.2 0.4 - 0.5 1.3 0.4 0.2 0.6 1.8 0.4 0 0.5 0.3 0 1.1 0.4 0.8 0 0 0.1 0.2 0.2 0.7 0 1.6 0.2 0.3 0.7 1.1 0.1 0.2
-
0 0.1
[1] 6dfr.a 1.0 1.1 1.1 - 0.7 0.6 0.4 1.0 0.7 2.7 0 0 0.3 1.0 0 0.8 1.1 0.6 0.2 0.1 0 2.0 0.8 0.7 0.4 2.0 1.0 0.3 0.6 1.7 0 0.8 -
0
0.3
[2] 5uih.a 2.9 2.7 2.8 - 2.5 2.5 2.8 2.7 2.9 4.5 3.8 7.9 2.3 2.8 0 2.8 2.7 3.1 0.8 0.8 4.5 0.8 3.6 3.0 2.3 3.4 2.5 2.5 2.9 2.7 0.8 1.9 - 0.2
0
[Pocket-ligand steric clashes matrix]

Pocket clash dissimilarity (2 clusters)

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
1dhj.a
1dra.a
1drb.a
1drh.a
1dyh.a
1jom.a
1rf7.a
1rg7.a
1rx5.a
1tdr.a
2ano.a
2anq.a
2d0k.a
2drc.a
3k74.a
3kfy.a
3och.a
3ql0.a
3qyl.a
3qyo.a
3r33.a
4eig.a
4gh8.b
4i1n.a
4or7.a
4osg.a
4p66.a
4p68.a
4pss.a
5cc9.a
5uii.a
5uio.a
5w3q.a
6dfr.a
5uih.a
[1] 1dhj.a
0
.02 .02 .14 .02 .20 .21 .11 .23 .05 .15 .14 .13 .02 .22 .14 .03 .06 .12 .13 .15 .24 .25 .15 .09 .17 .13 .14 .10 .17 .15 .04 .14 .09 .30
[1] 1dra.a .02
0
.03 .13 .03 .21 .23 .10 .24 .04 .16 .13 .14 .01 .22 .13 .02 .07 .10 .11 .13 .25 .24 .17 .08 .16 .12 .13 .11 .19 .15 .04 .13 .09 .29
[1] 1drb.a .02 .03
0
.13 .03 .19 .22 .10 .22 .05 .15 .14 .12 .02 .21 .13 .04 .07 .11 .12 .14 .23 .25 .15 .09 .17 .12 .13 .10 .17 .15 .05 .13 .08 .29
[1] 1drh.a .14 .13 .13
0
.14 .16 .25 .13 .25 .12 .06 .04 .10 .13 .21 .03 .14 .10 .05 .05 .04 .18 .19 .13 .08 .14 .05 .04 .08 .15 .08 .14 .04 .11 .24
[1] 1dyh.a .02 .03 .03 .14
0
.20 .19 .11 .23 .04 .15 .14 .13 .03 .22 .13 .04 .05 .12 .13 .15 .24 .25 .15 .09 .17 .12 .14 .10 .18 .15 .02 .13 .08 .30
[1] 1jom.a .20 .21 .19 .16 .20
0
.18 .15 .19 .20 .16 .15 .19 .20 .08 .15 .21 .18 .19 .18 .16 .07 .29 .13 .19 .24 .16 .16 .19 .15 .18 .20 .15 .20 .26
[1] 1rf7.a .21 .23 .22 .25 .19 .18
0
.22 .10 .21 .26 .26 .25 .22 .20 .25 .23 .19 .27 .26 .25 .20 .38 .15 .22 .28 .26 .26 .23 .14 .27 .20 .25 .20 .29
[1] 1rg7.a .11 .10 .10 .13 .11 .15 .22
0
.23 .11 .16 .13 .15 .10 .17 .13 .11 .14 .14 .13 .15 .20 .26 .13 .13 .18 .13 .14 .13 .15 .15 .12 .13 .13 .24
[1] 1rx5.a .23 .24 .22 .25 .23 .19 .10 .23
0
.23 .25 .25 .25 .23 .21 .23 .25 .20 .26 .26 .24 .20 .39 .16 .22 .27 .26 .24 .24 .13 .28 .23 .24 .22 .22
[1] 1tdr.a .05 .04 .05 .12 .04 .20 .21 .11 .23
0
.15 .13 .15 .04 .23 .12 .04 .08 .11 .12 .13 .23 .25 .17 .08 .15 .13 .12 .12 .19 .15 .05 .12 .10 .28
[1] 2ano.a .15 .16 .15 .06 .15 .16 .26 .16 .25 .15
0
.05 .11 .14 .19 .06 .16 .11 .09 .08 .05 .20 .21 .15 .08 .14 .06 .06 .10 .16 .10 .14 .04 .12 .27
[1] 2anq.a .14 .13 .14 .04 .14 .15 .26 .13 .25 .13 .05
0
.10 .12 .19 .03 .13 .09 .07 .06 .03 .20 .18 .13 .07 .12 .03 .04 .07 .15 .09 .13 .02 .13 .26
[1] 2d0k.a .13 .14 .12 .10 .13 .19 .25 .15 .25 .15 .11 .10
0
.13 .20 .10 .15 .12 .11 .12 .11 .23 .25 .15 .13 .10 .12 .10 .11 .18 .08 .13 .10 .07 .26
[1] 2drc.a .02 .01 .02 .13 .03 .20 .22 .10 .23 .04 .14 .12 .13
0
.21 .12 .02 .07 .10 .11 .13 .25 .23 .16 .07 .15 .11 .13 .10 .18 .14 .04 .12 .08 .28
[1] 3k74.a .22 .22 .21 .21 .22 .08 .20 .17 .21 .23 .19 .19 .20 .21
0
.19 .23 .19 .22 .21 .20 .13 .33 .17 .20 .22 .20 .19 .18 .21 .18 .21 .19 .20 .31
[1] 3kfy.a .14 .13 .13 .03 .13 .15 .25 .13 .23 .12 .06 .03 .10 .12 .19
0
.14 .09 .06 .06 .03 .19 .18 .12 .08 .14 .04 .02 .09 .14 .10 .13 .02 .11 .25
[1] 3och.a .03 .02 .04 .14 .04 .21 .23 .11 .25 .04 .16 .13 .15 .02 .23 .14
0
.08 .12 .13 .15 .26 .24 .17 .09 .17 .12 .14 .11 .20 .15 .04 .13 .10 .29
[1] 3ql0.a .06 .07 .07 .10 .05 .18 .19 .14 .20 .08 .11 .09 .12 .07 .19 .09 .08
0
.09 .10 .10 .24 .21 .13 .05 .13 .09 .10 .06 .17 .14 .05 .09 .08 .31
[1] 3qyl.a .12 .10 .11 .05 .12 .19 .27 .14 .26 .11 .09 .07 .11 .10 .22 .06 .12 .09
0
.04 .05 .22 .20 .13 .08 .15 .07 .05 .08 .15 .10 .12 .06 .11 .25
[1] 3qyo.a .13 .11 .12 .05 .13 .18 .26 .13 .26 .12 .08 .06 .12 .11 .21 .06 .13 .10 .04
0
.04 .21 .21 .13 .07 .16 .07 .06 .08 .16 .12 .13 .05 .12 .26
[1] 3r33.a .15 .13 .14 .04 .15 .16 .25 .15 .24 .13 .05 .03 .11 .13 .20 .03 .15 .10 .05 .04
0
.21 .19 .14 .07 .15 .05 .03 .09 .16 .10 .15 .02 .12 .26
[1] 4eig.a .24 .25 .23 .18 .24 .07 .20 .20 .20 .23 .20 .20 .23 .25 .13 .19 .26 .24 .22 .21 .21
0
.34 .15 .25 .28 .22 .20 .22 .16 .21 .24 .20 .23 .26
[1] 4gh8.b .25 .24 .25 .19 .25 .29 .38 .26 .39 .25 .21 .18 .25 .23 .33 .18 .24 .21 .20 .21 .19 .34
0
.25 .20 .28 .18 .18 .22 .27 .22 .24 .18 .25 .39
[1] 4i1n.a .15 .17 .15 .13 .15 .13 .15 .13 .16 .17 .15 .13 .15 .16 .17 .12 .17 .13 .13 .13 .14 .15 .25
0
.14 .21 .13 .13 .14 .06 .15 .15 .13 .14 .20
[1] 4or7.a .09 .08 .09 .08 .09 .19 .22 .13 .22 .08 .08 .07 .13 .07 .20 .08 .09 .05 .08 .07 .07 .25 .20 .14
0
.12 .07 .08 .06 .18 .13 .08 .06 .08 .30
[1] 4osg.a .17 .16 .17 .14 .17 .24 .28 .18 .27 .15 .14 .12 .10 .15 .22 .14 .17 .13 .15 .16 .15 .28 .28 .21 .12
0
.15 .14 .11 .24 .11 .16 .14 .10 .32
[1] 4p66.a .13 .12 .12 .05 .12 .16 .26 .13 .26 .13 .06 .03 .12 .11 .20 .04 .12 .09 .07 .07 .05 .22 .18 .13 .07 .15
0
.05 .08 .15 .11 .12 .02 .13 .27
[1] 4p68.a .14 .13 .13 .04 .14 .16 .26 .14 .24 .12 .06 .04 .10 .13 .19 .02 .14 .10 .05 .06 .03 .20 .18 .13 .08 .14 .05
0
.09 .15 .10 .14 .03 .12 .25
[1] 4pss.a .10 .11 .10 .08 .10 .19 .23 .13 .24 .12 .10 .07 .11 .10 .18 .09 .11 .06 .08 .08 .09 .22 .22 .14 .06 .11 .08 .09
0
.17 .11 .10 .08 .10 .30
[1] 5cc9.a .17 .19 .17 .15 .18 .15 .14 .15 .13 .19 .16 .15 .18 .18 .21 .14 .20 .17 .15 .16 .16 .16 .27 .06 .18 .24 .15 .15 .17
0
.17 .18 .14 .18 .19
[1] 5uii.a .15 .15 .15 .08 .15 .18 .27 .15 .28 .15 .10 .09 .08 .14 .18 .10 .15 .14 .10 .12 .10 .21 .22 .15 .13 .11 .11 .10 .11 .17
0
.14 .09 .08 .23
[1] 5uio.a .04 .04 .05 .14 .02 .20 .20 .12 .23 .05 .14 .13 .13 .04 .21 .13 .04 .05 .12 .13 .15 .24 .24 .15 .08 .16 .12 .14 .10 .18 .14
0
.13 .09 .30
[1] 5w3q.a .14 .13 .13 .04 .13 .15 .25 .13 .24 .12 .04 .02 .10 .12 .19 .02 .13 .09 .06 .05 .02 .20 .18 .13 .06 .14 .02 .03 .08 .14 .09 .13
0
.12 .26
[1] 6dfr.a .09 .09 .08 .11 .08 .20 .20 .13 .22 .10 .12 .13 .07 .08 .20 .11 .10 .08 .11 .12 .12 .23 .25 .14 .08 .10 .13 .12 .10 .18 .08 .09 .12
0
.26
[2] 5uih.a .30 .29 .29 .24 .30 .26 .29 .24 .22 .28 .27 .26 .26 .28 .31 .25 .29 .31 .25 .26 .26 .26 .39 .20 .30 .32 .27 .25 .30 .19 .23 .30 .26 .26
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 2.1 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
1dhj.a
1dra.a
1drb.a
1drh.a
1dyh.a
1jom.a
1rf7.a
1rg7.a
1rx5.a
1tdr.a
2ano.a
2anq.a
2d0k.a
2drc.a
3k74.a
3kfy.a
3och.a
3ql0.a
3qyl.a
3qyo.a
3r33.a
4eig.a
4gh8.b
4i1n.a
4or7.a
4osg.a
4p66.a
4p68.a
4pss.a
5cc9.a
5uii.a
5uio.a
5w3q.a
6dfr.a
5uih.a
[1] 1dhj.a
0
0.2 0.2 1.5 0.3 1.9 1.8 2.4 1.9 0.3 1.5 1.5 1.7 0.3 1.9 1.5 0.3 1.6 1.4 1.4 1.5 2.0 1.8 1.7 1.5 1.8 1.5 1.5 4.2 1.6 1.3 1.1 1.5 0.9 2.7
[1] 1dra.a 0.2
0
0.1 1.5 0.2 2.0 1.8 2.4 2.0 0.2 1.5 1.4 1.7 0.2 2.0 1.4 0.3 1.6 1.4 1.4 1.5 2.1 1.8 1.7 1.5 1.7 1.4 1.5 4.2 1.6 1.3 1.1 1.5 0.9 2.7
[1] 1drb.a 0.2 0.1
0
1.6 0.3 1.9 1.8 2.4 1.9 0.3 1.5 1.5 1.7 0.3 1.9 1.5 0.3 1.6 1.4 1.4 1.5 2.1 1.9 1.7 1.5 1.8 1.5 1.5 4.2 1.6 1.3 1.1 1.5 0.9 2.7
[1] 1drh.a 1.5 1.5 1.6
0
1.5 2.4 2.2 2.4 2.3 1.5 0.7 0.5 1.7 1.4 2.4 0.6 1.5 0.7 0.6 0.6 0.6 2.5 1.4 2.1 0.3 0.8 0.5 0.6 4.0 2.2 1.4 1.2 0.5 0.8 3.1
[1] 1dyh.a 0.3 0.2 0.3 1.5
0
1.9 1.8 2.3 1.9 0.3 1.4 1.4 1.6 0.3 1.9 1.4 0.4 1.6 1.4 1.4 1.4 2.0 1.9 1.7 1.5 1.7 1.4 1.5 4.2 1.6 1.2 1.1 1.4 0.8 2.7
[1] 1jom.a 1.9 2.0 1.9 2.4 1.9
0
0.7 2.6 0.7 2.0 2.2 2.2 2.4 2.0 0.4 2.3 2.0 2.5 2.3 2.3 2.3 0.5 2.8 0.9 2.4 2.5 2.3 2.4 4.6 0.8 2.2 2.3 2.3 0.9 1.6
[1] 1rf7.a 1.8 1.8 1.8 2.2 1.8 0.7
0
2.6 0.4 1.8 2.0 2.0 2.1 1.8 0.7 2.0 1.9 2.3 2.1 2.1 2.1 0.7 2.6 0.4 2.2 2.3 2.1 2.2 4.5 0.6 1.9 2.0 2.1 0.8 1.9
[1] 1rg7.a 2.4 2.4 2.4 2.4 2.3 2.6 2.6
0
2.8 2.3 2.4 2.4 3.3 2.4 2.7 2.5 2.3 2.6 2.5 2.5 2.5 2.8 2.8 2.6 2.5 2.7 2.5 2.6 4.7 2.6 3.1 2.9 2.5 1.4 3.0
[1] 1rx5.a 1.9 2.0 1.9 2.3 1.9 0.7 0.4 2.8
0
2.0 2.1 2.1 2.1 2.0 0.7 2.1 2.0 2.5 2.2 2.2 2.2 0.7 2.7 0.6 2.3 2.4 2.2 2.3 4.5 0.7 2.0 2.1 2.2 0.9 1.8
[1] 1tdr.a 0.3 0.2 0.3 1.5 0.3 2.0 1.8 2.3 2.0
0
1.5 1.4 1.7 0.2 2.0 1.4 0.3 1.6 1.4 1.4 1.5 2.1 1.8 1.7 1.5 1.7 1.4 1.5 4.2 1.7 1.3 1.1 1.5 0.9 2.7
[1] 2ano.a 1.5 1.5 1.5 0.7 1.4 2.2 2.0 2.4 2.1 1.5
0
0.4 1.6 1.5 2.2 0.4 1.5 0.9 0.7 0.6 0.4 2.3 1.6 1.9 0.7 0.8 0.5 0.5 4.0 2.0 1.4 1.3 0.4 0.8 3.0
[1] 2anq.a 1.5 1.4 1.5 0.5 1.4 2.2 2.0 2.4 2.1 1.4 0.4
0
1.6 1.4 2.2 0.3 1.4 0.8 0.5 0.5 0.3 2.3 1.5 1.9 0.5 0.8 0.3 0.4 4.0 2.0 1.3 1.2 0.3 0.7 3.0
[1] 2d0k.a 1.7 1.7 1.7 1.7 1.6 2.4 2.1 3.3 2.1 1.7 1.6 1.6
0
1.7 2.4 1.5 1.8 1.9 1.6 1.6 1.5 2.4 2.3 2.0 1.7 1.7 1.6 1.6 4.3 2.1 0.7 1.1 1.6 0.7 3.1
[1] 2drc.a 0.3 0.2 0.3 1.4 0.3 2.0 1.8 2.4 2.0 0.2 1.5 1.4 1.7
0
2.0 1.4 0.3 1.5 1.4 1.4 1.4 2.1 1.8 1.7 1.4 1.7 1.4 1.5 4.2 1.7 1.2 1.1 1.4 0.9 2.8
[1] 3k74.a 1.9 2.0 1.9 2.4 1.9 0.4 0.7 2.7 0.7 2.0 2.2 2.2 2.4 2.0
0
2.3 2.0 2.5 2.3 2.3 2.3 0.6 2.9 0.9 2.4 2.5 2.3 2.4 4.6 0.8 2.2 2.3 2.3 0.9 1.6
[1] 3kfy.a 1.5 1.4 1.5 0.6 1.4 2.3 2.0 2.5 2.1 1.4 0.4 0.3 1.5 1.4 2.3
0
1.5 0.9 0.5 0.5 0.3 2.3 1.6 2.0 0.6 0.7 0.4 0.3 4.0 2.0 1.3 1.2 0.2 0.6 3.0
[1] 3och.a 0.3 0.3 0.3 1.5 0.4 2.0 1.9 2.3 2.0 0.3 1.5 1.4 1.8 0.3 2.0 1.5
0
1.5 1.4 1.4 1.5 2.2 1.8 1.8 1.4 1.8 1.4 1.5 4.2 1.7 1.3 1.1 1.5 1.0 2.8
[1] 3ql0.a 1.6 1.6 1.6 0.7 1.6 2.5 2.3 2.6 2.5 1.6 0.9 0.8 1.9 1.5 2.5 0.9 1.5
0
0.8 0.8 0.9 2.6 1.3 2.2 0.6 0.9 0.7 0.8 4.0 2.3 1.6 1.3 0.8 1.0 3.2
[1] 3qyl.a 1.4 1.4 1.4 0.6 1.4 2.3 2.1 2.5 2.2 1.4 0.7 0.5 1.6 1.4 2.3 0.5 1.4 0.8
0
0.1 0.6 2.4 1.5 2.0 0.5 0.9 0.4 0.6 3.9 2.0 1.3 1.0 0.5 0.6 3.0
[1] 3qyo.a 1.4 1.4 1.4 0.6 1.4 2.3 2.1 2.5 2.2 1.4 0.6 0.5 1.6 1.4 2.3 0.5 1.4 0.8 0.1
0
0.5 2.4 1.5 2.0 0.5 0.9 0.4 0.6 3.9 2.0 1.3 1.1 0.5 0.6 3.0
[1] 3r33.a 1.5 1.5 1.5 0.6 1.4 2.3 2.1 2.5 2.2 1.5 0.4 0.3 1.5 1.4 2.3 0.3 1.5 0.9 0.6 0.5
0
2.4 1.5 2.0 0.6 0.7 0.3 0.3 4.0 2.0 1.3 1.2 0.2 0.7 3.1
[1] 4eig.a 2.0 2.1 2.1 2.5 2.0 0.5 0.7 2.8 0.7 2.1 2.3 2.3 2.4 2.1 0.6 2.3 2.2 2.6 2.4 2.4 2.4
0
2.9 1.0 2.5 2.6 2.4 2.5 4.7 0.9 2.2 2.4 2.4 1.0 1.6
[1] 4gh8.b 1.8 1.8 1.9 1.4 1.9 2.8 2.6 2.8 2.7 1.8 1.6 1.5 2.3 1.8 2.9 1.6 1.8 1.3 1.5 1.5 1.5 2.9
0
2.5 1.4 1.7 1.5 1.5 4.2 2.6 1.9 1.7 1.5 1.6 3.5
[1] 4i1n.a 1.7 1.7 1.7 2.1 1.7 0.9 0.4 2.6 0.6 1.7 1.9 1.9 2.0 1.7 0.9 2.0 1.8 2.2 2.0 2.0 2.0 1.0 2.5
0
2.0 2.2 2.0 2.1 4.4 0.8 1.8 1.9 2.0 0.9 2.0
[1] 4or7.a 1.5 1.5 1.5 0.3 1.5 2.4 2.2 2.5 2.3 1.5 0.7 0.5 1.7 1.4 2.4 0.6 1.4 0.6 0.5 0.5 0.6 2.5 1.4 2.0
0
0.8 0.4 0.6 3.9 2.1 1.4 1.2 0.5 0.8 3.1
[1] 4osg.a 1.8 1.7 1.8 0.8 1.7 2.5 2.3 2.7 2.4 1.7 0.8 0.8 1.7 1.7 2.5 0.7 1.8 0.9 0.9 0.9 0.7 2.6 1.7 2.2 0.8
0
0.7 0.7 4.0 2.3 1.5 1.4 0.7 1.0 3.2
[1] 4p66.a 1.5 1.4 1.5 0.5 1.4 2.3 2.1 2.5 2.2 1.4 0.5 0.3 1.6 1.4 2.3 0.4 1.4 0.7 0.4 0.4 0.3 2.4 1.5 2.0 0.4 0.7
0
0.3 3.9 2.0 1.3 1.1 0.3 0.6 3.0
[1] 4p68.a 1.5 1.5 1.5 0.6 1.5 2.4 2.2 2.6 2.3 1.5 0.5 0.4 1.6 1.5 2.4 0.3 1.5 0.8 0.6 0.6 0.3 2.5 1.5 2.1 0.6 0.7 0.3
0
3.9 2.1 1.3 1.2 0.3 0.7 3.1
[1] 4pss.a 4.2 4.2 4.2 4.0 4.2 4.6 4.5 4.7 4.5 4.2 4.0 4.0 4.3 4.2 4.6 4.0 4.2 4.0 3.9 3.9 4.0 4.7 4.2 4.4 3.9 4.0 3.9 3.9
0
4.4 4.2 4.0 4.0 4.3 5.0
[1] 5cc9.a 1.6 1.6 1.6 2.2 1.6 0.8 0.6 2.6 0.7 1.7 2.0 2.0 2.1 1.7 0.8 2.0 1.7 2.3 2.0 2.0 2.0 0.9 2.6 0.8 2.1 2.3 2.0 2.1 4.4
0
1.9 1.9 2.0 0.9 1.9
[1] 5uii.a 1.3 1.3 1.3 1.4 1.2 2.2 1.9 3.1 2.0 1.3 1.4 1.3 0.7 1.2 2.2 1.3 1.3 1.6 1.3 1.3 1.3 2.2 1.9 1.8 1.4 1.5 1.3 1.3 4.2 1.9
0
0.7 1.3 0.5 2.9
[1] 5uio.a 1.1 1.1 1.1 1.2 1.1 2.3 2.0 2.9 2.1 1.1 1.3 1.2 1.1 1.1 2.3 1.2 1.1 1.3 1.0 1.1 1.2 2.4 1.7 1.9 1.2 1.4 1.1 1.2 4.0 1.9 0.7
0
1.2 0.6 3.0
[1] 5w3q.a 1.5 1.5 1.5 0.5 1.4 2.3 2.1 2.5 2.2 1.5 0.4 0.3 1.6 1.4 2.3 0.2 1.5 0.8 0.5 0.5 0.2 2.4 1.5 2.0 0.5 0.7 0.3 0.3 4.0 2.0 1.3 1.2
0
0.7 3.0
[1] 6dfr.a 0.9 0.9 0.9 0.8 0.8 0.9 0.8 1.4 0.9 0.9 0.8 0.7 0.7 0.9 0.9 0.6 1.0 1.0 0.6 0.6 0.7 1.0 1.6 0.9 0.8 1.0 0.6 0.7 4.3 0.9 0.5 0.6 0.7
0
1.5
[2] 5uih.a 2.7 2.7 2.7 3.1 2.7 1.6 1.9 3.0 1.8 2.7 3.0 3.0 3.1 2.8 1.6 3.0 2.8 3.2 3.0 3.0 3.1 1.6 3.5 2.0 3.1 3.2 3.0 3.1 5.0 1.9 2.9 3.0 3.0 1.5
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 1.6 Å)

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

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pocketpocket
≥10 Å
9 Å
8 Å
7 Å
6 Å
5 Å
4 Å
3 Å
2 Å
1 Å
0 Å
1dhj.a
1dra.a
1drb.a
1drh.a
1dyh.a
1jom.a
1rf7.a
1rg7.a
1rx5.a
1tdr.a
2ano.a
2anq.a
2d0k.a
2drc.a
3k74.a
3kfy.a
3och.a
3ql0.a
3qyl.a
3qyo.a
3r33.a
4eig.a
4gh8.b
4i1n.a
4or7.a
4osg.a
4p66.a
4p68.a
4pss.a
5cc9.a
5uii.a
5uio.a
5w3q.a
6dfr.a
5uih.a
[1] 1dhj.a
0
0.5 0.5 1.9 0.6 2.8 2.3 2.3 2.5 0.6 2.1 2.2 2.0 0.6 2.7 2.2 0.6 2.1 2.1 2.1 2.2 2.8 2.4 2.5 2.1 2.2 1.7 1.9 3.9 2.3 1.5 1.6 2.2 1.1 3.3
[1] 1dra.a 0.5
0
0.2 1.8 0.3 2.8 2.3 2.2 2.5 0.4 2.0 2.1 1.9 0.3 2.7 2.1 0.3 2.0 2.0 2.0 2.1 2.8 2.3 2.5 2.0 2.1 1.6 1.8 3.8 2.3 1.4 1.6 2.1 0.9 3.3
[1] 1drb.a 0.5 0.2
0
1.9 0.3 2.7 2.3 2.3 2.5 0.4 2.0 2.1 1.9 0.4 2.7 2.2 0.4 2.0 2.0 2.0 2.1 2.8 2.3 2.5 2.0 2.1 1.6 1.9 3.9 2.3 1.4 1.6 2.1 1.0 3.3
[1] 1drh.a 1.9 1.8 1.9
0
1.8 2.7 2.5 2.3 2.7 1.8 0.8 0.8 2.0 1.8 2.7 0.8 1.8 0.8 0.8 0.7 0.8 2.8 1.2 2.5 0.6 1.0 0.6 0.7 3.3 2.5 1.8 1.6 0.7 0.9 3.6
[1] 1dyh.a 0.6 0.3 0.3 1.8
0
2.7 2.3 2.2 2.5 0.4 1.9 2.0 1.9 0.3 2.7 2.1 0.4 2.0 2.0 2.0 2.1 2.8 2.3 2.5 1.9 2.0 1.5 1.8 3.8 2.3 1.3 1.5 2.0 0.8 3.3
[1] 1jom.a 2.8 2.8 2.7 2.7 2.7
0
1.2 2.5 1.3 2.8 2.9 2.9 3.2 2.8 1.0 3.0 2.8 3.2 3.1 3.0 3.1 0.9 3.5 1.2 3.1 3.2 2.4 2.5 4.6 1.2 2.3 3.1 3.0 1.1 2.2
[1] 1rf7.a 2.3 2.3 2.3 2.5 2.3 1.2
0
2.5 0.5 2.3 2.7 2.7 2.8 2.3 1.2 2.9 2.4 2.9 2.8 2.8 2.9 1.2 3.2 1.0 2.8 2.9 2.2 2.5 4.4 1.1 2.0 2.6 2.9 0.8 2.3
[1] 1rg7.a 2.3 2.2 2.3 2.3 2.2 2.5 2.5
0
2.6 2.2 2.4 2.4 3.1 2.2 2.6 2.5 2.2 2.5 2.5 2.5 2.6 2.7 2.7 2.5 2.4 2.6 2.3 2.4 4.2 2.5 2.9 2.6 2.4 1.6 2.7
[1] 1rx5.a 2.5 2.5 2.5 2.7 2.5 1.3 0.5 2.6
0
2.5 2.9 2.9 2.9 2.5 1.3 3.0 2.6 3.1 3.0 2.9 3.0 1.3 3.4 1.2 3.0 3.0 2.3 2.6 4.5 1.2 2.1 2.8 3.0 0.8 2.2
[1] 1tdr.a 0.6 0.4 0.4 1.8 0.4 2.8 2.3 2.2 2.5
0
2.0 2.1 1.9 0.4 2.7 2.1 0.4 2.0 2.0 2.0 2.1 2.8 2.2 2.5 1.9 2.1 1.6 1.8 3.8 2.3 1.4 1.5 2.1 0.9 3.3
[1] 2ano.a 2.1 2.0 2.0 0.8 1.9 2.9 2.7 2.4 2.9 2.0
0
0.7 2.0 2.0 3.0 0.7 2.0 1.2 1.2 1.1 0.8 3.0 1.7 2.7 1.2 1.3 0.6 0.7 3.5 2.6 1.8 1.9 0.7 1.1 3.4
[1] 2anq.a 2.2 2.1 2.1 0.8 2.0 2.9 2.7 2.4 2.9 2.1 0.7
0
2.1 2.1 2.9 0.7 2.1 1.2 1.1 1.1 0.7 3.0 1.7 2.7 1.2 1.4 0.5 0.5 3.4 2.6 1.8 1.9 0.6 1.1 3.4
[1] 2d0k.a 2.0 1.9 1.9 2.0 1.9 3.2 2.8 3.1 2.9 1.9 2.0 2.1
0
1.9 3.1 2.0 2.0 2.2 2.1 2.1 2.0 3.2 2.5 2.9 2.2 2.1 1.5 2.0 4.0 2.9 1.0 1.4 2.0 1.0 3.3
[1] 2drc.a 0.6 0.3 0.4 1.8 0.3 2.8 2.3 2.2 2.5 0.4 2.0 2.1 1.9
0
2.8 2.1 0.3 2.0 2.0 2.0 2.1 2.9 2.3 2.5 1.9 2.1 1.6 1.8 3.9 2.3 1.4 1.6 2.1 0.9 3.3
[1] 3k74.a 2.7 2.7 2.7 2.7 2.7 1.0 1.2 2.6 1.3 2.7 3.0 2.9 3.1 2.8
0
3.1 2.8 3.1 3.0 3.0 3.1 0.9 3.4 1.1 3.0 3.1 2.4 2.5 4.5 1.4 2.2 3.1 3.1 1.0 2.2
[1] 3kfy.a 2.2 2.1 2.2 0.8 2.1 3.0 2.9 2.5 3.0 2.1 0.7 0.7 2.0 2.1 3.1
0
2.1 1.3 1.2 1.1 0.5 3.1 1.7 2.9 1.3 1.4 0.5 0.6 3.5 2.8 1.8 1.9 0.5 1.2 3.5
[1] 3och.a 0.6 0.3 0.4 1.8 0.4 2.8 2.4 2.2 2.6 0.4 2.0 2.1 2.0 0.3 2.8 2.1
0
2.0 2.0 2.0 2.1 2.9 2.3 2.5 1.9 2.1 1.6 1.8 3.8 2.4 1.4 1.5 2.1 1.0 3.3
[1] 3ql0.a 2.1 2.0 2.0 0.8 2.0 3.2 2.9 2.5 3.1 2.0 1.2 1.2 2.2 2.0 3.1 1.3 2.0
0
0.9 0.9 1.2 3.2 1.4 2.9 0.8 1.2 0.7 0.9 3.3 2.9 1.9 1.7 1.1 1.1 3.6
[1] 3qyl.a 2.1 2.0 2.0 0.8 2.0 3.1 2.8 2.5 3.0 2.0 1.2 1.1 2.1 2.0 3.0 1.2 2.0 0.9
0
0.5 1.1 3.1 1.5 2.8 0.9 1.2 0.5 0.8 3.2 2.8 1.7 1.6 1.1 1.0 3.5
[1] 3qyo.a 2.1 2.0 2.0 0.7 2.0 3.0 2.8 2.5 2.9 2.0 1.1 1.1 2.1 2.0 3.0 1.1 2.0 0.9 0.5
0
1.1 3.1 1.5 2.8 0.9 1.2 0.5 0.8 3.2 2.8 1.8 1.7 1.1 1.0 3.5
[1] 3r33.a 2.2 2.1 2.1 0.8 2.1 3.1 2.9 2.6 3.0 2.1 0.8 0.7 2.0 2.1 3.1 0.5 2.1 1.2 1.1 1.1
0
3.2 1.7 2.9 1.2 1.4 0.6 0.6 3.5 2.8 1.7 1.9 0.5 1.2 3.6
[1] 4eig.a 2.8 2.8 2.8 2.8 2.8 0.9 1.2 2.7 1.3 2.8 3.0 3.0 3.2 2.9 0.9 3.1 2.9 3.2 3.1 3.1 3.2
0
3.6 1.2 3.2 3.2 2.5 2.6 4.7 1.4 2.3 3.2 3.1 1.1 2.2
[1] 4gh8.b 2.4 2.3 2.3 1.2 2.3 3.5 3.2 2.7 3.4 2.2 1.7 1.7 2.5 2.3 3.4 1.7 2.3 1.4 1.5 1.5 1.7 3.6
0
3.2 1.5 1.9 1.2 1.4 3.6 3.2 2.1 2.1 1.7 1.8 3.7
[1] 4i1n.a 2.5 2.5 2.5 2.5 2.5 1.2 1.0 2.5 1.2 2.5 2.7 2.7 2.9 2.5 1.1 2.9 2.5 2.9 2.8 2.8 2.9 1.2 3.2
0
2.9 2.9 2.2 2.4 4.4 1.1 2.0 2.8 2.8 1.1 2.4
[1] 4or7.a 2.1 2.0 2.0 0.6 1.9 3.1 2.8 2.4 3.0 1.9 1.2 1.2 2.2 1.9 3.0 1.3 1.9 0.8 0.9 0.9 1.2 3.2 1.5 2.9
0
1.2 0.7 0.9 3.3 2.9 1.8 1.7 1.1 1.1 3.6
[1] 4osg.a 2.2 2.1 2.1 1.0 2.0 3.2 2.9 2.6 3.0 2.1 1.3 1.4 2.1 2.1 3.1 1.4 2.1 1.2 1.2 1.2 1.4 3.2 1.9 2.9 1.2
0
1.0 1.1 3.5 2.9 1.7 1.8 1.3 1.3 3.6
[1] 4p66.a 1.7 1.6 1.6 0.6 1.5 2.4 2.2 2.3 2.3 1.6 0.6 0.5 1.5 1.6 2.4 0.5 1.6 0.7 0.5 0.5 0.6 2.5 1.2 2.2 0.7 1.0
0
0.4 3.3 2.2 1.4 1.2 0.4 0.6 3.3
[1] 4p68.a 1.9 1.8 1.9 0.7 1.8 2.5 2.5 2.4 2.6 1.8 0.7 0.5 2.0 1.8 2.5 0.6 1.8 0.9 0.8 0.8 0.6 2.6 1.4 2.4 0.9 1.1 0.4
0
3.4 2.4 1.7 1.6 0.5 0.8 3.6
[1] 4pss.a 3.9 3.8 3.9 3.3 3.8 4.6 4.4 4.2 4.5 3.8 3.5 3.4 4.0 3.9 4.5 3.5 3.8 3.3 3.2 3.2 3.5 4.7 3.6 4.4 3.3 3.5 3.3 3.4
0
4.4 3.7 3.6 3.4 3.6 4.9
[1] 5cc9.a 2.3 2.3 2.3 2.5 2.3 1.2 1.1 2.5 1.2 2.3 2.6 2.6 2.9 2.3 1.4 2.8 2.4 2.9 2.8 2.8 2.8 1.4 3.2 1.1 2.9 2.9 2.2 2.4 4.4
0
2.0 2.7 2.7 1.2 2.4
[1] 5uii.a 1.5 1.4 1.4 1.8 1.3 2.3 2.0 2.9 2.1 1.4 1.8 1.8 1.0 1.4 2.2 1.8 1.4 1.9 1.7 1.8 1.7 2.3 2.1 2.0 1.8 1.7 1.4 1.7 3.7 2.0
0
0.9 1.7 0.8 3.1
[1] 5uio.a 1.6 1.6 1.6 1.6 1.5 3.1 2.6 2.6 2.8 1.5 1.9 1.9 1.4 1.6 3.1 1.9 1.5 1.7 1.6 1.7 1.9 3.2 2.1 2.8 1.7 1.8 1.2 1.6 3.6 2.7 0.9
0
1.8 0.8 3.4
[1] 5w3q.a 2.2 2.1 2.1 0.7 2.0 3.0 2.9 2.4 3.0 2.1 0.7 0.6 2.0 2.1 3.1 0.5 2.1 1.1 1.1 1.1 0.5 3.1 1.7 2.8 1.1 1.3 0.4 0.5 3.4 2.7 1.7 1.8
0
1.1 3.5
[1] 6dfr.a 1.1 0.9 1.0 0.9 0.8 1.1 0.8 1.6 0.8 0.9 1.1 1.1 1.0 0.9 1.0 1.2 1.0 1.1 1.0 1.0 1.2 1.1 1.8 1.1 1.1 1.3 0.6 0.8 3.6 1.2 0.8 0.8 1.1
0
1.6
[2] 5uih.a 3.3 3.3 3.3 3.6 3.3 2.2 2.3 2.7 2.2 3.3 3.4 3.4 3.3 3.3 2.2 3.5 3.3 3.6 3.5 3.5 3.6 2.2 3.7 2.4 3.6 3.6 3.3 3.6 4.9 2.4 3.1 3.4 3.5 1.6
0
[Binding site full-atom RMSD matrix]







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