| ## |
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 |
32 |
14 |
6465 |
x |
B |
-x,y-1/2,-z-1 |
2_544 |
32 |
12 |
6465 |
286.4 |
1.9 |
0.779 |
9 |
1 |
0 |
0.000 |
2 |
|
A |
31 |
13 |
6548 |
x |
A |
-x,y-1/2,-z |
2_545 |
30 |
12 |
6548 |
280.2 |
1.2 |
0.734 |
9 |
1 |
0 |
0.000 |
| Average: |
283.3 |
1.5 |
0.756 |
9 |
1 |
0 |
0.000 |
| 2 |
3 |
|
B |
29 |
11 |
6465 |
◊ |
A |
x,y,z |
1_555 |
28 |
7 |
6548 |
265.3 |
-1.0 |
0.491 |
1 |
0 |
0 |
0.000 |
4 |
|
B |
30 |
8 |
6465 |
◊ |
A |
x,y,z-1 |
1_554 |
34 |
13 |
6548 |
253.2 |
-0.4 |
0.574 |
0 |
0 |
0 |
0.000 |
| Average: |
259.3 |
-0.7 |
0.532 |
1 |
0 |
0 |
0.000 |
| 3 |
5 |
|
B |
15 |
6 |
6465 |
x |
B |
-x-1,y-1/2,-z-1 |
2_444 |
17 |
4 |
6465 |
154.9 |
-2.7 |
0.172 |
0 |
1 |
0 |
0.000 |
6 |
|
A |
17 |
7 |
6548 |
x |
A |
-x-1,y-1/2,-z |
2_445 |
19 |
5 |
6548 |
154.7 |
-2.9 |
0.194 |
0 |
1 |
0 |
0.000 |
| Average: |
154.8 |
-2.8 |
0.183 |
0 |
1 |
0 |
0.000 |
| 4 |
7 |
|
A |
15 |
6 |
6548 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
6 |
2 |
6465 |
111.1 |
-1.0 |
0.325 |
1 |
0 |
0 |
0.000 |
| 5 |
8 |
|
[SO4]A:141 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
6548 |
101.5 |
-14.1 |
0.916 |
5 |
0 |
0 |
0.062 |
| 6 |
9 |
|
[SO4]B:141 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
6465 |
96.6 |
-13.3 |
0.851 |
4 |
0 |
0 |
0.059 |
| 7 |
10 |
|
[CL]B:142 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
6465 |
73.8 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.041 |
11 |
|
[CL]A:142 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
6548 |
68.2 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.041 |
| Average: |
71.0 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.041 |
| 8 |
12 |
|
B |
8 |
2 |
6465 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
8 |
3 |
6548 |
47.0 |
-0.5 |
0.424 |
0 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[SO4]B:141 |
2 |
1 |
185 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
2 |
6548 |
7.5 |
-0.8 |
0.828 |
0 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[CL]A:142 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6465 |
1.1 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|