| ## |
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 |
117 |
31 |
12874 |
◊ |
A |
x,y,z |
1_555 |
117 |
31 |
13342 |
1140.9 |
-13.0 |
0.151 |
12 |
4 |
0 |
0.100 |
| 2 |
2 |
|
A |
71 |
23 |
13342 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
67 |
19 |
13342 |
606.6 |
-4.3 |
0.430 |
11 |
4 |
0 |
0.000 |
| 3 |
3 |
|
A |
64 |
15 |
13342 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
67 |
17 |
12874 |
534.7 |
-3.6 |
0.516 |
3 |
4 |
0 |
0.000 |
| 4 |
4 |
|
B |
34 |
10 |
12874 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
27 |
8 |
13342 |
270.2 |
-1.5 |
0.529 |
2 |
0 |
0 |
0.000 |
| 5 |
5 |
|
[SO4]B:402 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
12874 |
125.7 |
-17.7 |
0.781 |
6 |
0 |
0 |
0.108 |
| 6 |
6 |
|
[SO4]A:402 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
13342 |
125.1 |
-18.5 |
0.724 |
5 |
0 |
0 |
0.110 |
| 7 |
7 |
|
[SO4]A:407 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
13342 |
118.7 |
-16.1 |
0.776 |
3 |
0 |
0 |
0.092 |
| 8 |
8 |
|
[SO4]B:401 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
12874 |
110.1 |
-17.6 |
0.752 |
4 |
0 |
0 |
0.103 |
| 9 |
9 |
|
[SO4]A:401 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
13342 |
107.6 |
-17.1 |
0.743 |
5 |
0 |
0 |
0.102 |
| 10 |
10 |
|
[SO4]A:405 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
13342 |
106.0 |
-15.4 |
0.736 |
5 |
0 |
0 |
0.093 |
| 11 |
11 |
|
[SO4]A:404 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
13342 |
77.6 |
-10.8 |
0.757 |
2 |
0 |
0 |
0.062 |
| 12 |
12 |
|
B |
7 |
2 |
12874 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
12 |
5 |
13342 |
76.2 |
1.4 |
0.868 |
1 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[CL]A:400 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
13342 |
70.8 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.116 |
14 |
|
[CL]B:400 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
12874 |
70.1 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.116 |
| Average: |
70.5 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.116 |
| 14 |
15 |
|
[SO4]A:403 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
13342 |
66.3 |
-10.0 |
0.671 |
2 |
0 |
0 |
0.058 |
| 15 |
16 |
|
[SO4]A:406 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
13342 |
62.2 |
-6.8 |
0.941 |
2 |
0 |
0 |
0.041 |
| 16 |
17 |
|
B |
4 |
2 |
12874 |
◊ |
[SO4]A:406 |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
1 |
184 |
36.2 |
-3.0 |
0.978 |
3 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[CL]B:400 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
13342 |
15.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.015 |
19 |
|
[CL]A:400 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
12874 |
10.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
12.9 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.015 |
| 18 |
20 |
|
A |
3 |
1 |
13342 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
12874 |
6.0 |
0.0 |
0.461 |
0 |
0 |
0 |
0.000 |
| 19 |
21 |
|
B |
1 |
1 |
12874 |
x |
B |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
12874 |
4.1 |
-0.0 |
0.514 |
0 |
0 |
0 |
0.000 |
|