| ## |
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 |
73 |
22 |
12680 |
x |
B |
z+1/2,-x+1/2,-y |
6_555 |
75 |
19 |
12680 |
652.5 |
-6.9 |
0.165 |
3 |
0 |
0 |
0.141 |
| 2 |
2 |
|
A |
53 |
11 |
12762 |
x |
A |
-z+1/2,-x+1,y-1/2 |
7_564 |
54 |
14 |
12762 |
500.6 |
-1.8 |
0.386 |
5 |
4 |
0 |
0.052 |
| 3 |
3 |
|
B |
42 |
11 |
12680 |
◊ |
A |
x,y,z |
1_555 |
42 |
11 |
12762 |
356.5 |
-1.1 |
0.489 |
4 |
8 |
0 |
0.000 |
| 4 |
4 |
|
B |
41 |
12 |
12680 |
◊ |
A |
-z+1,x-1/2,-y+1/2 |
8_645 |
37 |
10 |
12762 |
333.9 |
0.1 |
0.564 |
5 |
3 |
0 |
0.000 |
| 5 |
5 |
|
A |
35 |
11 |
12762 |
x |
A |
-z+1,x-1/2,-y+1/2 |
8_645 |
32 |
9 |
12762 |
254.0 |
-1.0 |
0.425 |
0 |
0 |
0 |
0.000 |
| 6 |
6 |
|
[SG3]B:1270 |
12 |
1 |
347 |
f |
B |
x,y,z |
1_555 |
34 |
20 |
12680 |
229.4 |
1.6 |
0.481 |
8 |
0 |
0 |
0.033 |
| 7 |
7 |
|
[CTN]B:1269 |
17 |
1 |
378 |
f |
B |
x,y,z |
1_555 |
35 |
10 |
12680 |
216.7 |
1.8 |
0.389 |
4 |
0 |
0 |
0.000 |
8 |
|
[CTN]A:1269 |
17 |
1 |
381 |
f |
A |
x,y,z |
1_555 |
35 |
10 |
12762 |
216.0 |
2.1 |
0.453 |
4 |
0 |
0 |
0.000 |
| Average: |
216.3 |
1.9 |
0.421 |
4 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[SO4]A:1272 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
21 |
15 |
12762 |
116.0 |
-15.5 |
0.774 |
6 |
0 |
0 |
0.205 |
| 9 |
10 |
|
[SO4]A:1275 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
12762 |
76.0 |
-9.7 |
0.944 |
6 |
0 |
0 |
0.139 |
| 10 |
11 |
|
[SO4]A:1271 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
12762 |
72.8 |
-11.1 |
0.676 |
4 |
0 |
0 |
0.146 |
| 11 |
12 |
|
[CL]B:1271 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
12680 |
70.9 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.196 |
13 |
|
[CL]A:1270 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
12762 |
70.2 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.196 |
| Average: |
70.6 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.196 |
| 12 |
14 |
|
[SO4]B:1272 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
12680 |
69.9 |
-8.8 |
0.950 |
5 |
0 |
0 |
0.190 |
| 13 |
15 |
|
[SO4]A:1273 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
12762 |
66.9 |
-9.4 |
0.734 |
3 |
0 |
0 |
0.122 |
| 14 |
16 |
|
[SO4]B:1273 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
12680 |
63.6 |
-8.8 |
0.761 |
3 |
0 |
0 |
0.174 |
| 15 |
17 |
|
[SO4]A:1274 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
12762 |
61.7 |
-7.3 |
0.941 |
3 |
0 |
0 |
0.098 |
| 16 |
18 |
|
[SO4]B:1274 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
12680 |
60.3 |
-7.0 |
0.930 |
2 |
0 |
0 |
0.136 |
| 17 |
19 |
|
[SO4]A:1274 |
4 |
1 |
185 |
◊ |
A |
-z+1/2,-x+1,y-1/2 |
7_564 |
5 |
3 |
12762 |
51.6 |
-5.8 |
0.843 |
0 |
0 |
0 |
0.066 |
| 18 |
20 |
|
[SO4]A:1273 |
4 |
1 |
185 |
f |
[CTN]A:1269 |
x,y,z |
1_555 |
2 |
1 |
381 |
31.5 |
-2.4 |
0.909 |
0 |
0 |
0 |
0.028 |
| 19 |
21 |
|
[SO4]B:1273 |
3 |
1 |
185 |
f |
[CTN]B:1269 |
x,y,z |
1_555 |
2 |
1 |
378 |
25.6 |
-2.4 |
0.826 |
0 |
0 |
0 |
0.040 |
| 20 |
22 |
|
[SO4]B:1273 |
3 |
1 |
185 |
◊ |
B |
z+1/2,-x+1/2,-y |
6_555 |
3 |
1 |
12680 |
15.7 |
-1.8 |
0.811 |
0 |
0 |
0 |
0.030 |
| 21 |
23 |
|
[SG3]B:1270 |
3 |
1 |
347 |
f |
[SO4]B:1273 |
x,y,z |
1_555 |
2 |
1 |
185 |
11.4 |
-1.3 |
0.587 |
0 |
0 |
0 |
0.023 |
| 22 |
24 |
|
[SO4]B:1274 |
1 |
1 |
185 |
f |
[SO4]B:1272 |
x,y,z |
1_555 |
1 |
1 |
185 |
8.3 |
-2.0 |
0.800 |
0 |
0 |
0 |
0.034 |
| 23 |
25 |
|
[SO4]A:1273 |
1 |
1 |
185 |
f |
[SO4]A:1272 |
x,y,z |
1_555 |
1 |
1 |
185 |
5.8 |
-1.4 |
0.800 |
0 |
0 |
0 |
0.016 |
| 24 |
26 |
|
[SG3]B:1270 |
1 |
1 |
347 |
f |
[CTN]B:1269 |
x,y,z |
1_555 |
2 |
1 |
378 |
5.1 |
-0.1 |
0.288 |
0 |
0 |
0 |
0.001 |
| 25 |
27 |
|
[SO4]A:1275 |
1 |
1 |
185 |
f |
[SO4]A:1274 |
x,y,z |
1_555 |
1 |
1 |
185 |
2.3 |
-0.5 |
1.000 |
0 |
0 |
0 |
0.006 |
|