| ## |
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 |
70 |
19 |
7164 |
◊ |
A |
x,y,z |
1_555 |
72 |
20 |
7394 |
683.6 |
-11.6 |
0.064 |
4 |
0 |
0 |
0.105 |
2 |
|
C |
70 |
20 |
7370 |
◊ |
C |
-x-1,y,-z+1/2 |
3_455 |
70 |
20 |
7370 |
671.4 |
-11.9 |
0.069 |
4 |
0 |
0 |
0.105 |
| Average: |
677.5 |
-11.8 |
0.066 |
4 |
0 |
0 |
0.105 |
| 2 |
3 |
|
C |
39 |
14 |
7370 |
◊ |
A |
x-1,y,z |
1_455 |
43 |
14 |
7394 |
355.7 |
-2.3 |
0.494 |
1 |
0 |
0 |
0.000 |
4 |
|
C |
39 |
12 |
7370 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
39 |
14 |
7394 |
347.9 |
-2.0 |
0.514 |
1 |
0 |
0 |
0.000 |
| Average: |
351.8 |
-2.2 |
0.504 |
1 |
0 |
0 |
0.000 |
| 3 |
5 |
|
B |
26 |
9 |
7164 |
x |
B |
x-1/2,-y+1/2,-z |
8_455 |
28 |
9 |
7164 |
237.2 |
-1.7 |
0.417 |
2 |
0 |
0 |
0.000 |
| 4 |
6 |
|
C |
18 |
9 |
7370 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
30 |
9 |
7394 |
210.5 |
1.3 |
0.788 |
2 |
2 |
0 |
0.000 |
7 |
|
C |
35 |
11 |
7370 |
◊ |
B |
x-1/2,y+1/2,z |
5_455 |
15 |
7 |
7164 |
207.3 |
-0.2 |
0.645 |
2 |
2 |
0 |
0.000 |
| Average: |
208.9 |
0.5 |
0.716 |
2 |
2 |
0 |
0.000 |
| 5 |
8 |
|
C |
30 |
10 |
7370 |
◊ |
B |
x-1/2,-y+1/2,-z |
8_455 |
17 |
5 |
7164 |
203.9 |
-0.8 |
0.564 |
3 |
1 |
0 |
0.000 |
| 6 |
9 |
|
[SO4]B:802 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
10 |
7164 |
107.6 |
-17.3 |
0.608 |
6 |
0 |
0 |
0.149 |
| 7 |
10 |
|
C |
11 |
4 |
7370 |
◊ |
B |
x-1,-y+1,-z |
4_465 |
15 |
5 |
7164 |
102.4 |
1.3 |
0.799 |
1 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[SO4]C:803 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
18 |
10 |
7370 |
97.1 |
-15.7 |
0.522 |
3 |
0 |
0 |
0.260 |
| 9 |
12 |
|
[SO4]A:801 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
7394 |
95.8 |
-15.6 |
0.519 |
3 |
0 |
0 |
0.126 |
| 10 |
13 |
|
A |
13 |
6 |
7394 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
13 |
6 |
7394 |
94.4 |
-2.0 |
0.307 |
0 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[ZN]A:201 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
7394 |
35.8 |
-28.1 |
0.000 |
0 |
0 |
0 |
0.431 |
15 |
|
[ZN]C:205 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
3 |
3 |
7370 |
35.7 |
-28.2 |
0.000 |
0 |
0 |
0 |
0.431 |
16 |
|
[ZN]B:203 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
3 |
3 |
7164 |
35.6 |
-28.1 |
0.000 |
0 |
0 |
0 |
0.431 |
| Average: |
35.7 |
-28.1 |
0.000 |
0 |
0 |
0 |
0.431 |
| 12 |
17 |
|
C |
3 |
2 |
7370 |
◊ |
[SO4]A:801 |
x-1/2,y+1/2,z |
5_455 |
4 |
1 |
184 |
35.5 |
-3.4 |
0.865 |
2 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[SO4]C:803 |
4 |
1 |
186 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
7394 |
34.7 |
-3.4 |
0.879 |
2 |
0 |
0 |
0.000 |
| 14 |
19 |
|
[ZN]B:203 |
1 |
1 |
98 |
f |
[SO4]B:802 |
x,y,z |
1_555 |
3 |
1 |
183 |
28.8 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.107 |
| 15 |
20 |
|
[ZN]C:205 |
1 |
1 |
98 |
f |
[SO4]C:803 |
x,y,z |
1_555 |
3 |
1 |
186 |
25.6 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.204 |
21 |
|
[ZN]A:201 |
1 |
1 |
98 |
f |
[SO4]A:801 |
x,y,z |
1_555 |
3 |
1 |
184 |
25.4 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.204 |
| Average: |
25.5 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.204 |
| 16 |
22 |
|
A |
3 |
2 |
7394 |
◊ |
B |
x-1/2,-y+1/2,-z |
8_455 |
3 |
1 |
7164 |
7.9 |
0.3 |
0.736 |
0 |
0 |
0 |
0.000 |
| 17 |
23 |
|
C |
1 |
1 |
7370 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7394 |
1.3 |
0.1 |
0.713 |
0 |
0 |
0 |
0.000 |
| 18 |
24 |
|
[ZN]C:205 |
1 |
1 |
98 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
7394 |
1.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
|
C |
1 |
1 |
7370 |
◊ |
[ZN]A:201 |
x-1/2,y+1/2,z |
5_455 |
1 |
1 |
98 |
0.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
1.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
|