| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
| 1 |
1 |
|
A |
45 |
7 |
1190 |
◊ |
A |
y,x,-z |
7_555 |
45 |
7 |
1190 |
324.9 |
-4.7 |
0.748 |
4 |
0 |
0 |
0.203 |
| 2 |
2 |
|
B |
25 |
5 |
1184 |
◊ |
A |
x,y,z |
1_555 |
25 |
5 |
1190 |
160.0 |
-1.2 |
0.669 |
6 |
0 |
0 |
0.000 |
| 3 |
3 |
|
B |
11 |
3 |
1184 |
◊ |
A |
y,x,-z |
7_555 |
9 |
2 |
1190 |
84.3 |
0.7 |
0.712 |
1 |
0 |
0 |
0.000 |
| 4 |
4 |
|
[BGC]B:8 |
7 |
1 |
294 |
cf |
B |
x,y,z |
1_555 |
8 |
4 |
1184 |
79.1 |
-0.1 |
0.235 |
1 |
0 |
0 |
0.022 |
| 5 |
5 |
|
[RER]A:9 |
6 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
13 |
3 |
1190 |
68.9 |
-1.6 |
0.281 |
0 |
0 |
0 |
0.103 |
| 6 |
6 |
|
B |
6 |
1 |
1184 |
◊ |
A |
y-1,x,-z |
7_455 |
11 |
1 |
1190 |
66.3 |
-1.4 |
0.385 |
1 |
0 |
0 |
0.008 |
| 7 |
7 |
|
[BGC]A:8 |
7 |
1 |
290 |
cf |
A |
x,y,z |
1_555 |
8 |
3 |
1190 |
63.4 |
-0.7 |
0.192 |
1 |
0 |
0 |
0.071 |
| 8 |
8 |
|
A |
11 |
3 |
1190 |
◊ |
B |
-y+1/2,x+1/2,z-1/4 |
3_554 |
10 |
1 |
1184 |
62.5 |
-2.1 |
0.367 |
0 |
0 |
0 |
0.079 |
| 9 |
9 |
|
B |
10 |
3 |
1184 |
◊ |
[RER]A:9 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
4 |
1 |
295 |
62.0 |
0.3 |
0.394 |
1 |
0 |
0 |
0.003 |
| 10 |
10 |
|
[CL]B:22 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
1184 |
60.8 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.584 |
11 |
|
[CL]A:21 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
1190 |
47.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.584 |
| Average: |
54.0 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.584 |
| 11 |
12 |
|
B |
7 |
2 |
1184 |
◊ |
A |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
12 |
2 |
1190 |
60.3 |
-2.6 |
0.339 |
0 |
0 |
0 |
0.070 |
| 12 |
13 |
|
[RER]A:9 |
6 |
1 |
295 |
cf |
[BGC]A:8 |
x,y,z |
1_555 |
5 |
1 |
290 |
58.6 |
2.4 |
0.337 |
0 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[BGC]A:8 |
6 |
1 |
290 |
◊ |
B |
x,y,z |
1_555 |
10 |
2 |
1184 |
53.9 |
0.9 |
0.347 |
0 |
0 |
0 |
0.000 |
| 14 |
15 |
|
B |
9 |
2 |
1184 |
◊ |
[RER]B:9 |
-y+1/2,x+1/2,z-1/4 |
3_554 |
5 |
1 |
298 |
53.3 |
1.4 |
0.592 |
3 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[RER]B:9 |
6 |
1 |
298 |
f |
B |
x,y,z |
1_555 |
14 |
3 |
1184 |
51.3 |
-1.2 |
0.303 |
0 |
0 |
0 |
0.046 |
| 16 |
17 |
|
[RER]B:9 |
6 |
1 |
298 |
cf |
[BGC]B:8 |
x,y,z |
1_555 |
5 |
1 |
294 |
48.6 |
1.9 |
0.355 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
A |
8 |
2 |
1190 |
◊ |
[RER]B:9 |
-y+1/2,x+1/2,z-1/4 |
3_554 |
4 |
1 |
298 |
45.2 |
-0.3 |
0.377 |
2 |
0 |
0 |
0.046 |
| 18 |
19 |
|
B |
4 |
2 |
1184 |
◊ |
[BGC]B:8 |
-y+1/2,x+1/2,z-1/4 |
3_554 |
4 |
1 |
294 |
38.8 |
0.8 |
0.438 |
0 |
0 |
0 |
0.000 |
| 19 |
20 |
|
[RER]B:9 |
4 |
1 |
298 |
◊ |
[BGC]A:8 |
x,y,z |
1_555 |
6 |
1 |
290 |
37.0 |
1.2 |
0.237 |
0 |
0 |
0 |
0.000 |
| 20 |
21 |
|
B |
7 |
2 |
1184 |
◊ |
[CL]A:20 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
1 |
1 |
125 |
32.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.014 |
| 21 |
22 |
|
[RER]B:9 |
3 |
1 |
298 |
◊ |
[RER]A:9 |
x,y,z |
1_555 |
4 |
1 |
295 |
32.5 |
0.7 |
0.349 |
0 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[BGC]B:8 |
6 |
1 |
294 |
◊ |
[BGC]A:8 |
x,y,z |
1_555 |
5 |
1 |
290 |
28.5 |
0.6 |
0.124 |
0 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[CL]A:20 |
1 |
1 |
125 |
◊ |
[RER]A:9 |
x,y,z |
1_555 |
3 |
1 |
295 |
28.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 24 |
25 |
|
A |
6 |
1 |
1190 |
f |
[CL]A:20 |
-y+1/2,x+1/2,z-1/4 |
3_554 |
1 |
1 |
125 |
28.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.222 |
| 25 |
26 |
|
B |
5 |
2 |
1184 |
◊ |
[CL]A:21 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
1 |
1 |
125 |
27.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.086 |
| 26 |
27 |
|
[RER]B:9 |
3 |
1 |
298 |
◊ |
A |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
3 |
1 |
1190 |
25.6 |
0.1 |
0.435 |
0 |
0 |
0 |
0.000 |
| 27 |
28 |
|
[CL]A:21 |
1 |
1 |
125 |
◊ |
A |
y,x,-z |
7_555 |
3 |
2 |
1190 |
25.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.191 |
| 28 |
29 |
|
[RER]A:9 |
2 |
1 |
295 |
◊ |
A |
y,x,-z |
7_555 |
5 |
1 |
1190 |
25.1 |
0.7 |
0.568 |
0 |
0 |
0 |
0.000 |
| 29 |
30 |
|
[CL]A:20 |
1 |
1 |
125 |
◊ |
[RER]B:9 |
x,y,z |
1_555 |
4 |
1 |
298 |
22.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.094 |
| 30 |
31 |
|
[RER]B:9 |
1 |
1 |
298 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
1190 |
22.0 |
0.5 |
0.619 |
0 |
0 |
0 |
0.000 |
| 31 |
32 |
|
B |
1 |
1 |
1184 |
x |
B |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
1 |
1 |
1184 |
12.1 |
-1.3 |
0.078 |
0 |
0 |
0 |
0.000 |
| 32 |
33 |
|
[BGC]B:8 |
2 |
1 |
294 |
◊ |
A |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
1 |
1 |
1190 |
8.9 |
0.3 |
0.454 |
0 |
0 |
0 |
0.000 |
| 33 |
34 |
|
B |
1 |
1 |
1184 |
◊ |
[RER]B:9 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
2 |
1 |
298 |
7.2 |
0.0 |
0.326 |
0 |
0 |
0 |
0.000 |
| 34 |
35 |
|
[CL]A:20 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
1184 |
7.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.054 |
| 35 |
36 |
|
[CL]A:20 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
1190 |
4.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 36 |
37 |
|
A |
2 |
2 |
1190 |
x |
A |
-y+1/2,x+1/2,z-1/4 |
3_554 |
1 |
1 |
1190 |
3.9 |
0.0 |
0.640 |
0 |
0 |
0 |
0.000 |
| 37 |
38 |
|
[RER]B:9 |
1 |
1 |
298 |
◊ |
[CL]A:21 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
1 |
1 |
125 |
2.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.008 |
| 38 |
39 |
|
[CL]A:20 |
1 |
1 |
125 |
◊ |
[BGC]A:8 |
x,y,z |
1_555 |
1 |
1 |
290 |
2.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 39 |
40 |
|
B |
1 |
1 |
1184 |
◊ |
[BGC]A:8 |
y-1,x,-z |
7_455 |
1 |
1 |
290 |
1.7 |
-0.0 |
0.325 |
0 |
0 |
0 |
0.000 |
| 40 |
41 |
|
[RER]A:9 |
1 |
1 |
295 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
1184 |
1.2 |
-0.1 |
0.305 |
0 |
0 |
0 |
0.000 |
| 41 |
42 |
|
B |
1 |
1 |
1184 |
◊ |
[CL]A:20 |
-y+1/2,x+1/2,z-1/4 |
3_554 |
1 |
1 |
125 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|