| ## |
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 |
110 |
34 |
11912 |
◊ |
A |
x,y,z |
1_555 |
97 |
32 |
12446 |
953.7 |
-8.0 |
0.317 |
4 |
0 |
0 |
0.000 |
| 2 |
2 |
|
A |
59 |
16 |
12446 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
62 |
20 |
12446 |
603.5 |
-4.0 |
0.405 |
7 |
0 |
0 |
0.000 |
3 |
|
B |
55 |
15 |
11912 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
60 |
19 |
11912 |
558.7 |
-4.1 |
0.429 |
8 |
0 |
0 |
0.000 |
| Average: |
581.1 |
-4.0 |
0.417 |
8 |
0 |
0 |
0.000 |
| 3 |
4 |
|
A |
20 |
7 |
12446 |
◊ |
B |
x-1,y,z |
1_455 |
24 |
7 |
11912 |
199.1 |
-0.6 |
0.563 |
3 |
2 |
0 |
0.000 |
| 4 |
5 |
|
[CXS]B:304 |
11 |
1 |
404 |
◊ |
B |
x,y,z |
1_555 |
29 |
9 |
11912 |
189.5 |
5.8 |
0.289 |
1 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[CXS]B:303 |
10 |
1 |
402 |
◊ |
A |
x,y,z |
1_555 |
23 |
7 |
12446 |
144.5 |
4.9 |
0.265 |
0 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[CXS]A:303 |
9 |
1 |
400 |
◊ |
B |
x,y,z |
1_555 |
20 |
8 |
11912 |
142.0 |
4.2 |
0.260 |
0 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[CXS]B:302 |
8 |
1 |
401 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
12446 |
131.1 |
4.4 |
0.348 |
0 |
0 |
0 |
0.000 |
| 8 |
9 |
|
B |
9 |
4 |
11912 |
◊ |
A |
x,y-1,z |
1_545 |
15 |
7 |
12446 |
121.9 |
-0.5 |
0.546 |
1 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[CXS]B:303 |
9 |
1 |
402 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
11912 |
117.4 |
1.8 |
0.029 |
1 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[SO4]B:301 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
11912 |
91.9 |
-11.6 |
0.865 |
3 |
0 |
0 |
0.049 |
| 11 |
12 |
|
[SO4]A:301 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
12446 |
89.9 |
-11.2 |
0.869 |
3 |
0 |
0 |
0.041 |
| 12 |
13 |
|
[EDO]A:304 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
21 |
11 |
12446 |
88.9 |
3.0 |
0.500 |
2 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[SO4]A:302 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
12446 |
86.5 |
-11.3 |
0.882 |
3 |
0 |
0 |
0.041 |
| 14 |
15 |
|
[CXS]B:302 |
8 |
1 |
401 |
◊ |
[CXS]A:303 |
x,y,z |
1_555 |
9 |
1 |
400 |
85.3 |
3.2 |
0.000 |
2 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[CXS]B:302 |
5 |
1 |
401 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
11912 |
78.6 |
-0.0 |
0.043 |
1 |
0 |
0 |
0.002 |
| 16 |
17 |
|
[CXS]A:303 |
10 |
1 |
400 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
12446 |
78.4 |
0.1 |
0.001 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[EDO]B:305 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
11912 |
74.6 |
1.2 |
0.177 |
1 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[EDO]A:305 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
12446 |
67.6 |
1.1 |
0.577 |
1 |
0 |
0 |
0.000 |
| 19 |
20 |
|
[EDO]A:304 |
4 |
1 |
184 |
f |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
10 |
4 |
12446 |
60.4 |
1.1 |
0.760 |
4 |
0 |
0 |
0.002 |
| 20 |
21 |
|
B |
8 |
4 |
11912 |
x |
B |
x-1,y,z |
1_455 |
4 |
1 |
11912 |
58.7 |
0.2 |
0.645 |
1 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[CL]B:306 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
11912 |
58.7 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.031 |
| 22 |
23 |
|
[CL]B:307 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
11912 |
51.9 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.026 |
| 23 |
24 |
|
[EDO]B:305 |
3 |
1 |
184 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
3 |
2 |
11912 |
49.1 |
1.0 |
0.106 |
0 |
0 |
0 |
0.000 |
| 24 |
25 |
|
[CL]A:306 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
12446 |
47.9 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.020 |
| 25 |
26 |
|
[SO4]A:301 |
4 |
1 |
186 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
2 |
12446 |
43.9 |
-4.3 |
0.968 |
2 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[CXS]B:304 |
5 |
1 |
404 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
12446 |
38.8 |
0.7 |
0.021 |
1 |
0 |
0 |
0.000 |
| 27 |
28 |
|
A |
1 |
1 |
12446 |
x |
A |
x,y-1,z |
1_545 |
6 |
2 |
12446 |
33.6 |
-0.7 |
0.139 |
0 |
0 |
0 |
0.000 |
| 28 |
29 |
|
[SO4]B:301 |
3 |
1 |
183 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
3 |
2 |
11912 |
20.8 |
-2.9 |
0.535 |
0 |
0 |
0 |
0.000 |
| 29 |
30 |
|
A |
2 |
1 |
12446 |
◊ |
[CL]B:306 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
9.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 30 |
31 |
|
A |
2 |
1 |
12446 |
x |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
3 |
2 |
12446 |
6.3 |
0.1 |
0.659 |
0 |
0 |
0 |
0.000 |
|