| ## |
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 |
187 |
49 |
12476 |
◊ |
A |
x,y,z |
1_555 |
197 |
49 |
12388 |
1843.2 |
-21.6 |
0.150 |
24 |
2 |
0 |
0.251 |
| 2 |
2 |
|
A |
56 |
18 |
12388 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
60 |
17 |
12476 |
543.8 |
-5.2 |
0.380 |
4 |
0 |
0 |
0.000 |
| 3 |
3 |
|
A |
27 |
9 |
12388 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
28 |
9 |
12476 |
280.6 |
-2.6 |
0.423 |
4 |
0 |
0 |
0.000 |
| 4 |
4 |
|
B |
22 |
7 |
12476 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
24 |
8 |
12476 |
199.2 |
0.2 |
0.679 |
2 |
3 |
0 |
0.000 |
5 |
|
A |
17 |
7 |
12388 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
21 |
6 |
12388 |
168.2 |
-0.6 |
0.619 |
2 |
4 |
0 |
0.000 |
| Average: |
183.7 |
-0.2 |
0.649 |
2 |
4 |
0 |
0.000 |
| 5 |
6 |
|
[GOL]A:307 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
12388 |
103.6 |
-0.7 |
0.500 |
1 |
0 |
0 |
0.009 |
| 6 |
7 |
|
[GOL]B:306 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
16 |
4 |
12476 |
100.3 |
-1.0 |
0.448 |
0 |
0 |
0 |
0.008 |
| 7 |
8 |
|
[SO4]A:305 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
12388 |
76.0 |
-10.2 |
0.937 |
2 |
0 |
0 |
0.086 |
| 8 |
9 |
|
[SO4]B:305 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
12476 |
70.4 |
-9.0 |
0.913 |
2 |
0 |
0 |
0.076 |
| 9 |
10 |
|
[SO4]B:304 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
12476 |
69.5 |
-9.7 |
0.924 |
0 |
0 |
0 |
0.074 |
| 10 |
11 |
|
[SO4]A:306 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
12388 |
65.1 |
-9.0 |
0.915 |
1 |
0 |
0 |
0.073 |
| 11 |
12 |
|
[NI]A:304 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
12388 |
46.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.078 |
13 |
|
[NI]A:304 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
12476 |
44.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.078 |
| Average: |
45.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.078 |
| 12 |
14 |
|
[GOL]B:306 |
5 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
12388 |
41.7 |
0.4 |
0.662 |
1 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[SO4]B:305 |
4 |
1 |
188 |
f |
[SO4]B:304 |
x,y,z |
1_555 |
4 |
1 |
188 |
40.2 |
-8.8 |
0.998 |
0 |
0 |
0 |
0.068 |
| 14 |
16 |
|
A |
4 |
2 |
12388 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
5 |
2 |
12476 |
39.7 |
-0.7 |
0.324 |
0 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[SO4]A:306 |
3 |
1 |
188 |
f |
[SO4]A:305 |
x,y,z |
1_555 |
3 |
1 |
186 |
39.4 |
-9.0 |
0.992 |
0 |
0 |
0 |
0.069 |
| 16 |
18 |
|
[SO4]A:305 |
4 |
1 |
186 |
cf |
[NI]A:303 |
x,y,z |
1_555 |
1 |
1 |
115 |
37.6 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.061 |
| 17 |
19 |
|
[NI]B:303 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
12476 |
37.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.057 |
20 |
|
[NI]A:303 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
12388 |
36.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.057 |
| Average: |
37.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.057 |
| 18 |
21 |
|
[SO4]B:305 |
4 |
1 |
188 |
cf |
[NI]B:303 |
x,y,z |
1_555 |
1 |
1 |
115 |
35.9 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.113 |
22 |
|
[SO4]B:304 |
3 |
1 |
188 |
cf |
[NI]B:303 |
x,y,z |
1_555 |
1 |
1 |
115 |
35.5 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.113 |
| Average: |
35.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.113 |
| 19 |
23 |
|
[SO4]A:306 |
4 |
1 |
188 |
f |
[NI]A:303 |
x,y,z |
1_555 |
1 |
1 |
115 |
33.8 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.055 |
| 20 |
24 |
|
[GOL]A:307 |
3 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12476 |
29.6 |
0.8 |
0.807 |
2 |
0 |
0 |
0.001 |
|