| ## |
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 |
40 |
11 |
12956 |
x |
A |
-x-1/2,y-1/2,-z+1 |
4_446 |
56 |
16 |
12956 |
450.6 |
-2.6 |
0.262 |
4 |
3 |
0 |
0.000 |
| 2 |
2 |
|
A |
41 |
16 |
12956 |
◊ |
A |
-x-1,y,-z+1 |
2_456 |
41 |
16 |
12956 |
366.1 |
-1.3 |
0.465 |
0 |
0 |
0 |
0.000 |
| 3 |
3 |
|
A |
20 |
7 |
12956 |
◊ |
A |
-x-1,y,-z |
2_455 |
20 |
7 |
12956 |
211.6 |
4.2 |
0.926 |
2 |
0 |
0 |
0.000 |
| 4 |
4 |
|
[SO4]A:305 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
12956 |
85.9 |
-14.2 |
0.160 |
1 |
0 |
0 |
0.009 |
| 5 |
5 |
|
[SO4]A:304 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
12956 |
79.2 |
-11.7 |
0.702 |
1 |
0 |
0 |
0.008 |
| 6 |
6 |
|
A |
6 |
3 |
12956 |
x |
A |
x-1/2,y-1/2,z |
3_445 |
13 |
7 |
12956 |
75.2 |
0.8 |
0.725 |
2 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
12956 |
35.9 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.031 |
8 |
|
[ZN]A:303 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
12956 |
31.3 |
-23.1 |
0.000 |
0 |
0 |
0 |
0.031 |
| Average: |
33.6 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.031 |
| 8 |
9 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
12956 |
31.9 |
-22.6 |
0.000 |
0 |
0 |
0 |
0.014 |
| 9 |
10 |
|
[SO4]A:305 |
3 |
1 |
185 |
f |
[ZN]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.7 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.009 |
| 10 |
11 |
|
[SO4]A:305 |
4 |
1 |
185 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.5 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.008 |
| 11 |
12 |
|
[SO4]A:305 |
4 |
1 |
185 |
f |
[ZN]A:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.3 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.010 |
13 |
|
[SO4]A:304 |
3 |
1 |
184 |
f |
[ZN]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.010 |
| Average: |
15.6 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| 12 |
14 |
|
[ZN]A:303 |
1 |
1 |
98 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.7 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.006 |
| 13 |
15 |
|
[SO4]A:305 |
3 |
1 |
185 |
f |
[SO4]A:304 |
x,y,z |
1_555 |
3 |
1 |
184 |
9.9 |
-2.3 |
0.992 |
0 |
0 |
0 |
0.001 |
| 14 |
16 |
|
A |
2 |
2 |
12956 |
x |
A |
x-1/2,y+1/2,z |
3_455 |
4 |
2 |
12956 |
7.8 |
0.1 |
0.646 |
0 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[ZN]A:303 |
1 |
1 |
98 |
f |
[ZN]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.003 |
| 16 |
18 |
|
A |
2 |
2 |
12956 |
x |
A |
-x-1/2,y-1/2,-z |
4_445 |
2 |
2 |
12956 |
2.2 |
-0.1 |
0.547 |
0 |
0 |
0 |
0.000 |
|