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ACE_DROME_16_614

Angiotensin-converting enzyme [Peptidase M2 family]

Composition of the binding site

Protein chains monomer
A1 (ACE_DROME):47, 51, 265, 266, 337:342, 344, 360, 363, 364, 367, 368, 371, 375, 387, 394, 395, 399, 438, 441, 495:497, 501, 502, 504, 507, 51147, 51, 265, 266, 337:342, 344, 360, 363, 364, 367, 368, 371, 375, 387, 394, 395, 399, 438, 441, 495:497, 501, 502, 504, 507, 511
Metals (Me):Zn

Full PDB list

1j36, 1j37, 1j38, 2x8y, 2x8z, 2x90, 2x91, 2x92, 2x93, 2x94, 2x95, 2x96, 2x97, 2xhm, 3zqz, 4aa1, 4aa2, 4asq, 4asr, 4ca7, 4ca8, 5a2r (redundant Pocketome entry)

Pocket contact map

[download in TSV format]
   
PDB.ch
   
ligand
A1 Me
G
5
1
Q
2
6
5
Q
2
6
6
H
3
3
7
A
3
3
8
S
3
3
9
A
3
4
0
W
3
4
1
D
3
4
2
Y
3
4
4
D
3
6
0
F
3
6
3
T
3
6
4
H
3
6
7
E
3
6
8
H
3
7
1
F
3
7
5
T
3
8
7
H
3
9
4
E
3
9
5
D
3
9
9
F
4
4
1
K
4
9
5
Y
4
9
6
H
4
9
7
D
5
0
1
V
5
0
2
Y
5
0
4
Y
5
0
7
F
5
1
1
[1]1j36.a lpr29 R . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]1j37.a x8z14 R . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]1j38.a none R . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2x8y.a none . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2x8z.a x8z14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2x90.a eal25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2x91.a lpr29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2x92.a x9228 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2x93.a x9329 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2x94.a x9424 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2x95.a x9536 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2x96.a rx344 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2x97.a rx434 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2xhm.a k2637 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3zqz.a slc14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4aa1.a YIHPF38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4aa2.a RPKIPP50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4asq.a RPPG26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4ca7.a 3ef51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4ca8.a 3es51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5a2r.a mlt9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn

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 Me
A
4
7
G
5
1
Q
2
6
5
Q
2
6
6
H
3
3
7
A
3
3
8
S
3
3
9
A
3
4
0
W
3
4
1
D
3
4
2
Y
3
4
4
D
3
6
0
F
3
6
3
T
3
6
4
H
3
6
7
E
3
6
8
H
3
7
1
F
3
7
5
T
3
8
7
H
3
9
4
E
3
9
5
D
3
9
9
K
4
3
8
F
4
4
1
K
4
9
5
Y
4
9
6
H
4
9
7
D
5
0
1
V
5
0
2
Y
5
0
4
Y
5
0
7
F
5
1
1
[1]1j36.a . R . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]1j37.a . R . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]1j38.a . R . . . . . . . . . * . . . . . . . . . . . . . . . . . . . . Zn
[1]2x8y.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2x8z.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2x90.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2x91.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2x92.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2x93.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2x94.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2x95.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2x96.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2x97.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]2xhm.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]3zqz.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4aa1.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4aa2.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4asq.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4ca7.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]4ca8.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn
[1]5a2r.a . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . Zn

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
1j36.a:lpr
1j37.a:x8z
1j38.a is apo
2x8y.a is apo
2x8z.a:x8z
2x90.a:eal
2x91.a:lpr
2x92.a:x92
2x93.a:x93
2x94.a:x94
2x95.a:x95
2x96.a:rx3
2x97.a:rx4
2xhm.a:k26
3zqz.a:slc
4aa1.a:YIHPF
4aa2.a:RPKIPP
4asq.a:RPPG
4ca7.a:3ef
4ca8.a:3es
5a2r.a:mlt
[1] 1j36.a
0
0.1 - - 0.1 0.1 0 0 0.1 0 0.1 0.4 0.1 0.1 0 0.1 0.6 0.2 0.3 0.7 0
[1] 1j37.a 0.2
0
- - 0 0.3 0.1 0.1 0.1 0.2 0.2 0.5 0.1 0.3 0.2 0 0.3 0.1 0.4 0.9 0
[1] 1j38.a 0.2 0.2
-
- 0.1 0.3 0.1 0.1 0.3 0.3 0.2 0.6 0.1 0.4 0.1 0.3 0.9 0.2 0.4 1.4 0.1
[1] 2x8y.a 0.6 0.3 -
-
0 0.4 0.2 0.4 0.5 0.5 0.3 1.3 0.2 0.2 0.2 0.2 0.7 0.4 0.5 1.5 0
[1] 2x8z.a 0.4 0.3 - -
0
0.4 0.1 0.3 0.3 0.1 0.3 0.6 0.2 0.2 0.2 0.1 0.4 0.1 0.2 1.2 0
[1] 2x90.a 0.3 0.2 - - 0.1
0.2
0 0.2 0.2 0.2 0.2 0.5 0.2 0.2 0.2 0.1 0.4 0.3 0.3 0.8 0
[1] 2x91.a 0.3 0.3 - - 0.1 0.2
0
0.1 0.2 0.2 0.2 0.7 0.2 0.2 0.2 0.1 0.5 0.4 0.2 0.8 0
[1] 2x92.a 0.3 0.3 - - 0 0.2 0
0.1
0 0.1 0.2 0.4 0.1 0.2 0.1 0 0.3 0.2 0 0.9 0
[1] 2x93.a 0.3 0.1 - - 0 0.2 0 0.1
0.1
0 0.2 0.5 0.1 0.2 0.1 0 0.4 0.2 0.2 0.7 0
[1] 2x94.a 0.2 0.1 - - 0 0.2 0.1 0.1 0.2
0
0.2 0.5 0.2 0.3 0.1 0 0.5 0.3 0.2 1.2 0.1
[1] 2x95.a 0.3 0.1 - - 0.1 0.2 0 0 0.2 0.2
0.2
0.4 0 0.2 0.1 0.1 0.4 0.3 0.2 0.8 0.1
[1] 2x96.a 0.4 0.2 - - 0 0.3 0 0.2 0.1 0.1 0.2
0.2
0.1 0.2 0.1 0 0.1 0.1 0.1 0.6 0
[1] 2x97.a 0.3 0.3 - - 0 0.3 0.1 0.3 0.2 0.2 0.3 0.5
0.1
0.3 0.2 0 0.4 0.2 0.1 1.1 0
[1] 2xhm.a 0.5 0.2 - - 0.1 0.3 0.2 0.5 0.3 0.4 0.4 0.9 0.2
0
0.4 0.1 0.4 0.2 0.2 1.2 0.1
[1] 3zqz.a 0.3 0.3 - - 0.1 0.4 0.1 0.3 0.3 0.4 0.3 0.9 0.1 0.1
0.2
0.2 0.6 0.4 0.3 1.5 0.1
[1] 4aa1.a 0.4 0.2 - - 0 0.4 0.1 0.2 0.2 0.2 0.3 0.9 0.2 0.1 0.2
0
0.4 0.4 0.5 1.0 0
[1] 4aa2.a 0.4 0.3 - - 0 0.4 0.2 0.4 0.2 0.2 0.4 0.8 0.4 0.5 0.3 0
0.1
0.1 0.6 1.0 0
[1] 4asq.a 0.5 0.4 - - 0 0.5 0.2 0.3 0.3 0.4 0.4 0.8 0.4 0.4 0.2 0.1 0.3
0.1
0.6 1.2 0.1
[1] 4ca7.a 0.4 0.2 - - 0 0.3 0 0.3 0.1 0.1 0.2 0.4 0.1 0.2 0.1 0 0.3 0.1
0
0.5 0
[1] 4ca8.a 0.4 0.2 - - 0 0.3 0 0.3 0.2 0.1 0.2 0.2 0.1 0.2 0.2 0 0.5 0.1 0
0.1
0
[1] 5a2r.a 0.4 0.2 - - 0 0.2 0.1 0.3 0.3 0.2 0.3 0.6 0.1 0.3 0.4 0 0.5 0.4 0.2 0.8
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
1j36.a
1j37.a
1j38.a
2x8y.a
2x8z.a
2x90.a
2x91.a
2x92.a
2x93.a
2x94.a
2x95.a
2x96.a
2x97.a
2xhm.a
3zqz.a
4aa1.a
4aa2.a
4asq.a
4ca7.a
4ca8.a
5a2r.a
[1] 1j36.a
0
.03 .05 .06 .04 .02 .03 .03 .02 .03 .03 .04 .04 .05 .05 .03 .05 .05 .03 .04 .04
[1] 1j37.a .03
0
.04 .07 .04 .03 .04 .03 .03 .04 .04 .05 .05 .05 .04 .04 .06 .04 .04 .05 .05
[1] 1j38.a .05 .04
0
.07 .06 .05 .06 .05 .05 .05 .06 .07 .05 .06 .04 .05 .08 .07 .06 .08 .07
[1] 2x8y.a .06 .07 .07
0
.03 .05 .05 .04 .05 .03 .05 .06 .03 .02 .03 .04 .05 .04 .05 .07 .06
[1] 2x8z.a .04 .04 .06 .03
0
.03 .03 .02 .03 .01 .03 .04 .02 .01 .03 .03 .05 .03 .03 .05 .04
[1] 2x90.a .02 .03 .05 .05 .03
0
.02 .01 .01 .02 .01 .03 .03 .03 .04 .03 .03 .04 .02 .03 .02
[1] 2x91.a .03 .04 .06 .05 .03 .02
0
.02 .01 .03 .01 .03 .03 .03 .03 .03 .03 .03 .03 .04 .03
[1] 2x92.a .03 .03 .05 .04 .02 .01 .02
0
.02 .02 .02 .03 .02 .03 .03 .03 .03 .03 .02 .04 .03
[1] 2x93.a .02 .03 .05 .05 .03 .01 .01 .02
0
.03 .01 .03 .03 .03 .03 .02 .03 .04 .02 .03 .02
[1] 2x94.a .03 .04 .05 .03 .01 .02 .03 .02 .03
0
.03 .03 .01 .02 .03 .04 .04 .04 .03 .04 .04
[1] 2x95.a .03 .04 .06 .05 .03 .01 .01 .02 .01 .03
0
.03 .02 .03 .04 .02 .02 .04 .01 .03 .02
[1] 2x96.a .04 .05 .07 .06 .04 .03 .03 .03 .03 .03 .03
0
.04 .05 .05 .03 .03 .05 .02 .03 .04
[1] 2x97.a .04 .05 .05 .03 .02 .03 .03 .02 .03 .01 .02 .04
0
.02 .03 .04 .04 .04 .03 .05 .04
[1] 2xhm.a .05 .05 .06 .02 .01 .03 .03 .03 .03 .02 .03 .05 .02
0
.03 .03 .04 .03 .04 .06 .05
[1] 3zqz.a .05 .04 .04 .03 .03 .04 .03 .03 .03 .03 .04 .05 .03 .03
0
.03 .06 .05 .05 .06 .04
[1] 4aa1.a .03 .04 .05 .04 .03 .03 .03 .03 .02 .04 .02 .03 .04 .03 .03
0
.04 .04 .03 .05 .03
[1] 4aa2.a .05 .06 .08 .05 .05 .03 .03 .03 .03 .04 .02 .03 .04 .04 .06 .04
0
.04 .03 .05 .04
[1] 4asq.a .05 .04 .07 .04 .03 .04 .03 .03 .04 .04 .04 .05 .04 .03 .05 .04 .04
0
.05 .06 .06
[1] 4ca7.a .03 .04 .06 .05 .03 .02 .03 .02 .02 .03 .01 .02 .03 .04 .05 .03 .03 .05
0
.03 .03
[1] 4ca8.a .04 .05 .08 .07 .05 .03 .04 .04 .03 .04 .03 .03 .05 .06 .06 .05 .05 .06 .03
0
.03
[1] 5a2r.a .04 .05 .07 .06 .04 .02 .03 .03 .02 .04 .02 .04 .04 .05 .04 .03 .04 .06 .03 .03
0
[Pocket clash dissimilarity matrix]

Site backbone RMSD (median 0.4 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
1j36.a
1j37.a
1j38.a
2x8y.a
2x8z.a
2x90.a
2x91.a
2x92.a
2x93.a
2x94.a
2x95.a
2x96.a
2x97.a
2xhm.a
3zqz.a
4aa1.a
4aa2.a
4asq.a
4ca7.a
4ca8.a
5a2r.a
[1] 1j36.a
0
0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.3 0.3 0.2 0.3 0.2 0.3 0.3 0.3 0.3 0.2
[1] 1j37.a 0.2
0
0.2 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.3 0.2
[1] 1j38.a 0.2 0.2
0
0.2 0.3 0.2 0.2 0.3 0.2 0.3 0.2 0.3 0.3 0.3 0.3 0.2 0.3 0.3 0.3 0.3 0.2
[1] 2x8y.a 0.2 0.3 0.2
0
0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.2 0.1 0.1 0.2 0.1 0.2 0.2 0.2 0.2 0.1
[1] 2x8z.a 0.2 0.3 0.3 0.1
0
0.1 0.1 0.1 0.1 0.1 0.1 0.2 0.1 0.1 0.2 0.1 0.1 0.2 0.2 0.1 0.1
[1] 2x90.a 0.2 0.3 0.2 0.1 0.1
0
0.1 0.1 0.1 0.1 0.1 0.2 0.1 0.1 0.2 0.1 0.2 0.2 0.2 0.2 0.1
[1] 2x91.a 0.2 0.3 0.2 0.1 0.1 0.1
0
0.1 0.1 0.1 0.1 0.2 0.1 0.1 0.2 0.1 0.2 0.2 0.2 0.2 0.1
[1] 2x92.a 0.2 0.3 0.3 0.1 0.1 0.1 0.1
0
0.1 0.1 0.1 0.2 0.2 0.1 0.2 0.1 0.2 0.2 0.2 0.2 0.2
[1] 2x93.a 0.2 0.3 0.2 0.1 0.1 0.1 0.1 0.1
0
0.1 0.1 0.2 0.1 0.1 0.2 0.1 0.1 0.2 0.2 0.1 0.2
[1] 2x94.a 0.2 0.3 0.3 0.1 0.1 0.1 0.1 0.1 0.1
0
0.1 0.2 0.1 0.1 0.2 0.1 0.2 0.2 0.2 0.2 0.2
[1] 2x95.a 0.2 0.3 0.2 0.1 0.1 0.1 0.1 0.1 0.1 0.1
0
0.2 0.1 0.1 0.2 0.1 0.2 0.2 0.2 0.2 0.1
[1] 2x96.a 0.3 0.3 0.3 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2
0
0.2 0.2 0.2 0.2 0.1 0.2 0.1 0.1 0.2
[1] 2x97.a 0.3 0.3 0.3 0.1 0.1 0.1 0.1 0.2 0.1 0.1 0.1 0.2
0
0.1 0.2 0.1 0.2 0.2 0.2 0.2 0.2
[1] 2xhm.a 0.2 0.3 0.3 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.2 0.1
0
0.2 0.1 0.2 0.2 0.2 0.2 0.2
[1] 3zqz.a 0.3 0.3 0.3 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2
0
0.2 0.2 0.2 0.2 0.2 0.2
[1] 4aa1.a 0.2 0.3 0.2 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.2 0.1 0.1 0.2
0
0.2 0.2 0.2 0.1 0.1
[1] 4aa2.a 0.3 0.3 0.3 0.2 0.1 0.2 0.2 0.2 0.1 0.2 0.2 0.1 0.2 0.2 0.2 0.2
0
0.2 0.1 0.1 0.2
[1] 4asq.a 0.3 0.3 0.3 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2
0
0.2 0.2 0.2
[1] 4ca7.a 0.3 0.3 0.3 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.2 0.1 0.2 0.2 0.2 0.2 0.1 0.2
0
0.1 0.2
[1] 4ca8.a 0.3 0.3 0.3 0.2 0.1 0.2 0.2 0.2 0.1 0.2 0.2 0.1 0.2 0.2 0.2 0.1 0.1 0.2 0.1
0
0.2
[1] 5a2r.a 0.2 0.2 0.2 0.1 0.1 0.1 0.1 0.2 0.2 0.2 0.1 0.2 0.2 0.2 0.2 0.1 0.2 0.2 0.2 0.2
0
[Binding site backbone RMSD matrix]

Site full-atom RMSD (median 0.2 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
1j36.a
1j37.a
1j38.a
2x8y.a
2x8z.a
2x90.a
2x91.a
2x92.a
2x93.a
2x94.a
2x95.a
2x96.a
2x97.a
2xhm.a
3zqz.a
4aa1.a
4aa2.a
4asq.a
4ca7.a
4ca8.a
5a2r.a
[1] 1j36.a
0
0.3 0.3 0.4 0.3 0.3 0.3 0.3 0.3 0.4 0.4 0.4 0.4 0.4 0.7 0.6 0.6 0.6 0.6 0.7 0.7
[1] 1j37.a 0.3
0
0.4 0.4 0.4 0.4 0.4 0.4 0.4 0.4 0.5 0.4 0.5 0.4 0.7 0.6 0.6 0.6 0.6 0.7 0.7
[1] 1j38.a 0.3 0.4
0
0.4 0.3 0.3 0.3 0.3 0.3 0.5 0.4 0.4 0.5 0.5 0.7 0.6 0.6 0.6 0.6 0.7 0.8
[1] 2x8y.a 0.4 0.4 0.4
0
0.3 0.3 0.4 0.3 0.3 0.3 0.3 0.4 0.2 0.2 0.5 0.6 0.6 0.7 0.6 0.7 0.6
[1] 2x8z.a 0.3 0.4 0.3 0.3
0
0.2 0.2 0.2 0.2 0.4 0.4 0.3 0.4 0.3 0.6 0.5 0.6 0.5 0.5 0.6 0.7
[1] 2x90.a 0.3 0.4 0.3 0.3 0.2
0
0.2 0.2 0.1 0.4 0.4 0.3 0.4 0.4 0.6 0.5 0.6 0.6 0.6 0.6 0.7
[1] 2x91.a 0.3 0.4 0.3 0.4 0.2 0.2
0
0.3 0.2 0.4 0.4 0.3 0.4 0.4 0.7 0.5 0.6 0.5 0.6 0.7 0.8
[1] 2x92.a 0.3 0.4 0.3 0.3 0.2 0.2 0.3
0
0.2 0.3 0.3 0.3 0.3 0.3 0.6 0.6 0.6 0.6 0.6 0.6 0.7
[1] 2x93.a 0.3 0.4 0.3 0.3 0.2 0.1 0.2 0.2
0
0.4 0.4 0.3 0.4 0.4 0.6 0.5 0.5 0.6 0.5 0.6 0.7
[1] 2x94.a 0.4 0.4 0.5 0.3 0.4 0.4 0.4 0.3 0.4
0
0.2 0.4 0.3 0.3 0.6 0.7 0.7 0.7 0.6 0.7 0.6
[1] 2x95.a 0.4 0.5 0.4 0.3 0.4 0.4 0.4 0.3 0.4 0.2
0
0.4 0.3 0.3 0.6 0.7 0.7 0.7 0.6 0.7 0.6
[1] 2x96.a 0.4 0.4 0.4 0.4 0.3 0.3 0.3 0.3 0.3 0.4 0.4
0
0.4 0.4 0.7 0.6 0.6 0.6 0.5 0.6 0.7
[1] 2x97.a 0.4 0.5 0.5 0.2 0.4 0.4 0.4 0.3 0.4 0.3 0.3 0.4
0
0.2 0.5 0.6 0.7 0.7 0.6 0.7 0.6
[1] 2xhm.a 0.4 0.4 0.5 0.2 0.3 0.4 0.4 0.3 0.4 0.3 0.3 0.4 0.2
0
0.5 0.6 0.6 0.7 0.6 0.7 0.6
[1] 3zqz.a 0.7 0.7 0.7 0.5 0.6 0.6 0.7 0.6 0.6 0.6 0.6 0.7 0.5 0.5
0
0.4 0.4 0.5 0.4 0.5 0.4
[1] 4aa1.a 0.6 0.6 0.6 0.6 0.5 0.5 0.5 0.6 0.5 0.7 0.7 0.6 0.6 0.6 0.4
0
0.2 0.3 0.3 0.4 0.5
[1] 4aa2.a 0.6 0.6 0.6 0.6 0.6 0.6 0.6 0.6 0.5 0.7 0.7 0.6 0.7 0.6 0.4 0.2
0
0.3 0.3 0.5 0.6
[1] 4asq.a 0.6 0.6 0.6 0.7 0.5 0.6 0.5 0.6 0.6 0.7 0.7 0.6 0.7 0.7 0.5 0.3 0.3
0
0.3 0.5 0.6
[1] 4ca7.a 0.6 0.6 0.6 0.6 0.5 0.6 0.6 0.6 0.5 0.6 0.6 0.5 0.6 0.6 0.4 0.3 0.3 0.3
0
0.4 0.6
[1] 4ca8.a 0.7 0.7 0.7 0.7 0.6 0.6 0.7 0.6 0.6 0.7 0.7 0.6 0.7 0.7 0.5 0.4 0.5 0.5 0.4
0
0.6
[1] 5a2r.a 0.7 0.7 0.8 0.6 0.7 0.7 0.8 0.7 0.7 0.6 0.6 0.7 0.6 0.6 0.4 0.5 0.6 0.6 0.6 0.6
0
[Binding site full-atom RMSD matrix]







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