| ## |
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 |
69 |
24 |
13846 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
81 |
24 |
13846 |
681.9 |
1.2 |
0.729 |
5 |
1 |
0 |
0.000 |
2 |
|
A |
76 |
21 |
13741 |
x |
A |
-x,y-1/2,-z |
2_545 |
64 |
22 |
13741 |
652.0 |
0.6 |
0.696 |
2 |
1 |
0 |
0.000 |
| Average: |
666.9 |
0.9 |
0.713 |
4 |
1 |
0 |
0.000 |
| 2 |
3 |
|
[SQL]B:305 |
30 |
1 |
852 |
f |
B |
x,y,z |
1_555 |
91 |
35 |
13846 |
632.1 |
3.0 |
0.183 |
0 |
0 |
0 |
0.000 |
4 |
|
[SQL]A:305 |
30 |
1 |
843 |
f |
A |
x,y,z |
1_555 |
92 |
35 |
13741 |
628.5 |
3.0 |
0.183 |
0 |
0 |
0 |
0.000 |
| Average: |
630.3 |
3.0 |
0.183 |
0 |
0 |
0 |
0.000 |
| 3 |
5 |
|
B |
37 |
10 |
13846 |
◊ |
A |
x,y,z |
1_555 |
37 |
10 |
13741 |
385.7 |
-6.2 |
0.101 |
0 |
0 |
0 |
0.010 |
| 4 |
6 |
|
A |
25 |
10 |
13741 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
25 |
9 |
13846 |
209.9 |
-3.1 |
0.258 |
0 |
0 |
0 |
0.000 |
| 5 |
7 |
|
[IPA]B:306 |
4 |
1 |
199 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
13846 |
126.2 |
4.4 |
0.387 |
1 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[IPA]A:306 |
4 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
13741 |
123.4 |
4.3 |
0.555 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[SO4]B:301 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
13846 |
79.5 |
-10.9 |
0.831 |
2 |
0 |
0 |
0.055 |
| 8 |
10 |
|
[SO4]A:301 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
13741 |
77.9 |
-10.6 |
0.826 |
2 |
0 |
0 |
0.041 |
| 9 |
11 |
|
[SO4]A:302 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
13741 |
67.7 |
-9.6 |
0.505 |
1 |
0 |
0 |
0.035 |
| 10 |
12 |
|
[SO4]A:303 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
13741 |
65.5 |
-7.8 |
0.935 |
2 |
0 |
0 |
0.031 |
| 11 |
13 |
|
[SO4]B:303 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
13846 |
61.9 |
-7.1 |
0.950 |
2 |
0 |
0 |
0.037 |
| 12 |
14 |
|
[SO4]B:302 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
13741 |
52.3 |
-6.4 |
0.860 |
1 |
0 |
0 |
0.024 |
| 13 |
15 |
|
[CL]B:304 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
13846 |
51.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.027 |
| 14 |
16 |
|
A |
7 |
3 |
13741 |
◊ |
[SO4]A:301 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
185 |
49.4 |
-6.7 |
0.609 |
0 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[SO4]B:301 |
4 |
1 |
186 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
3 |
13846 |
49.0 |
-6.6 |
0.608 |
0 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[CL]A:304 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
13846 |
41.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.020 |
| 17 |
19 |
|
[SO4]B:302 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
13846 |
36.1 |
-3.5 |
0.943 |
2 |
0 |
0 |
0.007 |
| 18 |
20 |
|
[CL]A:304 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13741 |
29.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.004 |
| 19 |
21 |
|
[IPA]A:306 |
2 |
1 |
198 |
f |
[SQL]A:305 |
x,y,z |
1_555 |
1 |
1 |
843 |
23.2 |
1.4 |
0.894 |
0 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[IPA]B:306 |
2 |
1 |
199 |
f |
[SQL]B:305 |
x,y,z |
1_555 |
1 |
1 |
852 |
20.5 |
1.4 |
0.894 |
0 |
0 |
0 |
0.000 |
|