| ## |
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 |
|
B |
104 |
33 |
14358 |
◊ |
A |
x,y,z |
1_555 |
103 |
34 |
14451 |
883.1 |
-10.0 |
0.252 |
8 |
2 |
0 |
0.049 |
| 2 |
2 |
|
D |
32 |
4 |
1060 |
◊ |
B |
x,y,z |
1_555 |
62 |
26 |
14358 |
408.3 |
-4.4 |
0.304 |
6 |
2 |
0 |
0.047 |
3 |
|
C |
34 |
4 |
995 |
◊ |
A |
x,y,z |
1_555 |
62 |
26 |
14451 |
405.6 |
-4.2 |
0.305 |
5 |
3 |
0 |
0.047 |
| Average: |
407.0 |
-4.3 |
0.305 |
6 |
3 |
0 |
0.047 |
| 3 |
4 |
|
B |
38 |
13 |
14358 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
37 |
8 |
14451 |
373.8 |
-1.2 |
0.575 |
7 |
2 |
0 |
0.000 |
| 4 |
5 |
|
B |
46 |
13 |
14358 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
36 |
11 |
14451 |
362.3 |
0.1 |
0.551 |
6 |
3 |
0 |
0.000 |
| 5 |
6 |
|
B |
35 |
9 |
14358 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
36 |
9 |
14451 |
349.8 |
-0.7 |
0.532 |
6 |
4 |
0 |
0.000 |
| 6 |
7 |
|
A |
29 |
8 |
14451 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
22 |
5 |
14358 |
220.1 |
-0.2 |
0.683 |
4 |
1 |
0 |
0.000 |
| 7 |
8 |
|
D |
12 |
3 |
1060 |
◊ |
A |
x,y,z |
1_555 |
25 |
11 |
14451 |
156.0 |
-1.9 |
0.449 |
2 |
0 |
0 |
0.000 |
9 |
|
C |
10 |
2 |
995 |
◊ |
B |
x,y,z |
1_555 |
19 |
8 |
14358 |
111.6 |
-1.0 |
0.522 |
0 |
0 |
0 |
0.000 |
| Average: |
133.8 |
-1.5 |
0.485 |
1 |
0 |
0 |
0.000 |
| 8 |
10 |
|
B |
16 |
4 |
14358 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
17 |
6 |
14358 |
155.1 |
-0.9 |
0.494 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[K]A:402 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
14451 |
113.7 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.756 |
12 |
|
[K]B:402 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
14 |
9 |
14358 |
112.9 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.756 |
| Average: |
113.3 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.756 |
| 10 |
13 |
|
[MCM]D:6 |
12 |
1 |
335 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
14451 |
107.0 |
1.9 |
0.111 |
0 |
0 |
0 |
0.000 |
14 |
|
[MCM]C:6 |
12 |
1 |
335 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
14358 |
106.4 |
1.7 |
0.098 |
0 |
0 |
0 |
0.000 |
| Average: |
106.7 |
1.8 |
0.104 |
0 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[MCM]D:6 |
13 |
1 |
335 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
14358 |
106.3 |
1.8 |
0.032 |
2 |
0 |
0 |
0.000 |
16 |
|
[MCM]C:6 |
12 |
1 |
335 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
14451 |
106.0 |
1.9 |
0.045 |
3 |
0 |
0 |
0.000 |
| Average: |
106.1 |
1.9 |
0.038 |
3 |
0 |
0 |
0.000 |
| 12 |
17 |
|
[GOL]B:404 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
14358 |
101.9 |
-0.2 |
0.498 |
2 |
0 |
0 |
0.007 |
| 13 |
18 |
|
[ACE]D:1 |
3 |
1 |
172 |
cf |
D |
x,y,z |
1_555 |
6 |
2 |
1060 |
65.0 |
-0.2 |
0.788 |
2 |
0 |
0 |
0.142 |
| 14 |
19 |
|
[ACE]C:1 |
3 |
1 |
172 |
cf |
C |
x,y,z |
1_555 |
8 |
2 |
995 |
64.9 |
-0.1 |
0.781 |
2 |
0 |
0 |
0.145 |
| 15 |
20 |
|
[MCM]D:6 |
12 |
1 |
335 |
◊ |
[MCM]C:6 |
x,y,z |
1_555 |
12 |
1 |
335 |
58.8 |
3.4 |
0.001 |
0 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[GOL]B:404 |
4 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
9 |
2 |
1060 |
56.5 |
-0.0 |
0.634 |
2 |
0 |
0 |
0.006 |
| 17 |
22 |
|
[MCM]C:6 |
4 |
1 |
335 |
cf |
C |
x,y,z |
1_555 |
6 |
2 |
995 |
44.8 |
0.3 |
0.184 |
0 |
0 |
0 |
0.000 |
23 |
|
[MCM]D:6 |
4 |
1 |
335 |
cf |
D |
x,y,z |
1_555 |
7 |
2 |
1060 |
44.2 |
0.3 |
0.200 |
0 |
0 |
0 |
0.000 |
| Average: |
44.5 |
0.3 |
0.192 |
0 |
0 |
0 |
0.000 |
| 18 |
24 |
|
[ZN]A:403 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
14451 |
37.9 |
-27.5 |
0.000 |
0 |
0 |
0 |
0.192 |
25 |
|
[ZN]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
14358 |
37.9 |
-27.3 |
0.000 |
0 |
0 |
0 |
0.192 |
| Average: |
37.9 |
-27.4 |
0.000 |
0 |
0 |
0 |
0.192 |
| 19 |
26 |
|
[ZN]B:403 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
1060 |
26.6 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.077 |
27 |
|
[ZN]A:403 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
995 |
26.4 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.077 |
| Average: |
26.5 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.077 |
| 20 |
28 |
|
[ACE]D:1 |
3 |
1 |
172 |
◊ |
[GOL]B:404 |
x,y,z |
1_555 |
3 |
1 |
219 |
25.6 |
0.2 |
0.694 |
1 |
0 |
0 |
0.002 |
| 21 |
29 |
|
A |
4 |
2 |
14451 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
4 |
3 |
14451 |
17.6 |
0.5 |
0.798 |
0 |
0 |
0 |
0.000 |
| 22 |
30 |
|
[ACE]D:1 |
1 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14358 |
11.6 |
0.3 |
0.763 |
0 |
0 |
0 |
0.000 |
| 23 |
31 |
|
[MCM]D:6 |
1 |
1 |
335 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
995 |
10.7 |
0.3 |
0.570 |
0 |
0 |
0 |
0.000 |
32 |
|
[MCM]C:6 |
1 |
1 |
335 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
1060 |
10.5 |
0.3 |
0.534 |
0 |
0 |
0 |
0.000 |
| Average: |
10.6 |
0.3 |
0.552 |
0 |
0 |
0 |
0.000 |
| 24 |
33 |
|
[ACE]D:1 |
1 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
14451 |
4.7 |
-0.1 |
0.554 |
0 |
0 |
0 |
0.000 |
| 25 |
34 |
|
[ACE]C:1 |
1 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14451 |
4.0 |
0.1 |
0.730 |
0 |
0 |
0 |
0.000 |
| 26 |
35 |
|
[ACE]C:1 |
1 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14358 |
1.5 |
-0.0 |
0.552 |
0 |
0 |
0 |
0.000 |
|