| ## |
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 |
|
C |
56 |
17 |
9292 |
◊ |
B |
x,y,z |
1_555 |
57 |
18 |
9277 |
558.8 |
0.1 |
0.578 |
6 |
4 |
0 |
0.003 |
| 2 |
2 |
|
A |
50 |
15 |
9297 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
50 |
15 |
9277 |
489.0 |
-3.0 |
0.322 |
6 |
7 |
0 |
0.000 |
3 |
|
C |
46 |
14 |
9292 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
46 |
14 |
9292 |
459.3 |
-3.6 |
0.283 |
4 |
6 |
0 |
0.000 |
| Average: |
474.1 |
-3.3 |
0.302 |
5 |
7 |
0 |
0.000 |
| 3 |
4 |
|
A |
51 |
15 |
9297 |
◊ |
B |
-x+3/2,y-1/2,-z+2 |
4_647 |
42 |
10 |
9277 |
429.1 |
-0.1 |
0.394 |
5 |
4 |
0 |
0.000 |
| 4 |
5 |
|
C |
44 |
12 |
9292 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
42 |
11 |
9297 |
426.5 |
0.2 |
0.601 |
3 |
2 |
0 |
0.000 |
| 5 |
6 |
|
A |
36 |
6 |
9297 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
54 |
16 |
9277 |
408.0 |
-1.5 |
0.433 |
2 |
2 |
0 |
0.000 |
| 6 |
7 |
|
E |
20 |
3 |
508 |
◊ |
B |
x,y,z |
1_555 |
46 |
18 |
9277 |
326.6 |
-2.9 |
0.563 |
9 |
1 |
0 |
0.121 |
| 7 |
8 |
|
F |
20 |
3 |
487 |
◊ |
C |
x,y,z |
1_555 |
46 |
18 |
9292 |
313.1 |
-3.8 |
0.504 |
8 |
2 |
0 |
0.129 |
| 8 |
9 |
|
D |
19 |
3 |
494 |
◊ |
A |
x,y,z |
1_555 |
47 |
18 |
9297 |
310.6 |
-3.1 |
0.494 |
7 |
5 |
0 |
0.150 |
| 9 |
10 |
|
C |
28 |
10 |
9292 |
◊ |
B |
-x+3/2,y-1/2,-z+1 |
4_646 |
23 |
6 |
9277 |
234.7 |
0.8 |
0.609 |
6 |
4 |
0 |
0.000 |
11 |
|
C |
24 |
6 |
9292 |
◊ |
A |
x,y,z |
1_555 |
25 |
10 |
9297 |
230.3 |
0.6 |
0.619 |
5 |
3 |
0 |
0.000 |
| Average: |
232.5 |
0.7 |
0.614 |
6 |
4 |
0 |
0.000 |
| 10 |
12 |
|
[SO4]B:3001 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
9277 |
74.2 |
-11.0 |
0.724 |
2 |
0 |
0 |
0.204 |
| 11 |
13 |
|
[SO4]B:3002 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
9292 |
73.8 |
-11.5 |
0.650 |
2 |
0 |
0 |
0.210 |
| 12 |
14 |
|
[ZN]A:2001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
9297 |
42.8 |
-31.9 |
0.000 |
0 |
0 |
0 |
0.692 |
15 |
|
[ZN]B:2001 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
9277 |
42.7 |
-32.4 |
0.000 |
0 |
0 |
0 |
0.692 |
16 |
|
[ZN]C:2001 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
6 |
9292 |
42.1 |
-31.7 |
0.000 |
0 |
0 |
0 |
0.692 |
| Average: |
42.5 |
-32.0 |
0.000 |
0 |
0 |
0 |
0.692 |
| 13 |
17 |
|
[SO4]B:3002 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
9277 |
40.4 |
-3.3 |
0.984 |
3 |
0 |
0 |
0.005 |
| 14 |
18 |
|
[SO4]B:3001 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
9292 |
35.5 |
-3.2 |
0.980 |
1 |
0 |
0 |
0.004 |
| 15 |
19 |
|
B |
6 |
2 |
9277 |
◊ |
C |
-x+3/2,y-1/2,-z+1 |
4_646 |
2 |
1 |
9292 |
27.9 |
0.8 |
0.759 |
0 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[ZN]A:2001 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
494 |
17.7 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.157 |
21 |
|
[ZN]B:2001 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
508 |
16.8 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.157 |
| Average: |
17.3 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.157 |
| 17 |
22 |
|
[ZN]C:2001 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
487 |
17.4 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.126 |
| 18 |
23 |
|
D |
2 |
1 |
494 |
◊ |
B |
-x+3/2,y-1/2,-z+2 |
4_647 |
4 |
1 |
9277 |
15.7 |
-0.2 |
0.482 |
0 |
0 |
0 |
0.000 |
| 19 |
24 |
|
C |
1 |
1 |
9292 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
9277 |
1.0 |
-0.0 |
0.518 |
0 |
0 |
0 |
0.000 |
|