| ## |
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 |
243 |
62 |
12779 |
◊ |
B |
-y,-x,-z+1/2 |
8_555 |
240 |
62 |
12779 |
2136.0 |
-23.2 |
0.226 |
30 |
6 |
0 |
0.330 |
2 |
|
A |
230 |
60 |
12415 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
229 |
60 |
12415 |
2036.0 |
-21.4 |
0.277 |
26 |
2 |
0 |
0.330 |
| Average: |
2086.0 |
-22.3 |
0.252 |
28 |
4 |
0 |
0.330 |
| 2 |
3 |
|
B |
140 |
41 |
12779 |
◊ |
A |
x,y,z |
1_555 |
134 |
37 |
12415 |
1387.8 |
-19.3 |
0.077 |
9 |
8 |
0 |
0.205 |
| 3 |
4 |
|
[NAP]B:301 |
45 |
1 |
876 |
f |
B |
x,y,z |
1_555 |
84 |
32 |
12779 |
620.8 |
-2.5 |
0.703 |
20 |
0 |
0 |
0.200 |
5 |
|
[NAP]A:405 |
45 |
1 |
877 |
f |
A |
x,y,z |
1_555 |
82 |
32 |
12415 |
617.9 |
-3.0 |
0.689 |
19 |
0 |
0 |
0.200 |
| Average: |
619.4 |
-2.8 |
0.696 |
20 |
0 |
0 |
0.200 |
| 4 |
6 |
|
B |
67 |
20 |
12779 |
◊ |
A |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
66 |
22 |
12415 |
608.1 |
-3.4 |
0.575 |
4 |
7 |
0 |
0.000 |
| 5 |
7 |
|
B |
30 |
10 |
12779 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
28 |
10 |
12415 |
255.1 |
-2.0 |
0.527 |
6 |
0 |
0 |
0.029 |
| 6 |
8 |
|
A |
18 |
8 |
12415 |
◊ |
B |
-y+1/2,x+1/2,z-1/4 |
3_554 |
27 |
9 |
12779 |
183.6 |
1.3 |
0.840 |
2 |
0 |
0 |
0.000 |
| 7 |
9 |
|
B |
20 |
7 |
12779 |
x |
B |
-y+1/2,x+1/2,z-1/4 |
3_554 |
18 |
5 |
12779 |
156.2 |
-1.0 |
0.568 |
0 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[SO4]B:302 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
12779 |
107.4 |
-15.3 |
0.850 |
4 |
0 |
0 |
0.302 |
| 9 |
11 |
|
[SO4]A:401 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
12415 |
106.9 |
-16.7 |
0.792 |
5 |
0 |
0 |
0.252 |
| 10 |
12 |
|
[SO4]A:402 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
12415 |
82.7 |
-9.5 |
0.903 |
2 |
0 |
0 |
0.138 |
| 11 |
13 |
|
[EDO]B:303 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
12779 |
74.9 |
2.3 |
0.308 |
1 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[EDO]B:304 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
12779 |
64.7 |
0.6 |
0.392 |
2 |
0 |
0 |
0.006 |
| 13 |
15 |
|
[EDO]A:403 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
12415 |
64.3 |
3.1 |
0.984 |
2 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[NAP]A:405 |
11 |
1 |
877 |
f |
[SO4]A:402 |
x,y,z |
1_555 |
4 |
1 |
185 |
59.4 |
-9.3 |
0.630 |
0 |
0 |
0 |
0.124 |
| 15 |
17 |
|
B |
9 |
3 |
12779 |
◊ |
[EDO]B:303 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
4 |
1 |
185 |
58.8 |
1.4 |
0.847 |
2 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[CL]A:404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
12415 |
58.8 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.130 |
19 |
|
[CL]B:305 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
12779 |
57.6 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.130 |
| Average: |
58.2 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.130 |
| 17 |
20 |
|
B |
6 |
2 |
12779 |
x |
B |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
6 |
2 |
12779 |
44.0 |
-0.1 |
0.515 |
1 |
1 |
0 |
0.000 |
| 18 |
21 |
|
[EDO]B:304 |
3 |
1 |
185 |
◊ |
A |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
4 |
2 |
12415 |
38.8 |
1.0 |
0.833 |
1 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[SO4]B:302 |
4 |
1 |
185 |
◊ |
A |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
2 |
1 |
12415 |
32.0 |
-3.0 |
0.971 |
1 |
0 |
0 |
0.000 |
| 20 |
23 |
|
A |
3 |
1 |
12415 |
◊ |
A |
y,x,-z+1 |
7_556 |
3 |
1 |
12415 |
29.9 |
0.8 |
0.878 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[EDO]B:303 |
2 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
12415 |
22.4 |
0.9 |
0.862 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[EDO]A:403 |
2 |
1 |
185 |
f |
[SO4]A:401 |
x,y,z |
1_555 |
4 |
1 |
185 |
18.8 |
-1.5 |
0.999 |
0 |
0 |
0 |
0.019 |
| 23 |
26 |
|
[NAP]B:301 |
1 |
1 |
876 |
f |
[SO4]B:302 |
x,y,z |
1_555 |
1 |
1 |
185 |
12.3 |
-2.1 |
0.264 |
0 |
0 |
0 |
0.037 |
| 24 |
27 |
|
[NAP]A:405 |
1 |
1 |
877 |
f |
[SO4]A:401 |
x,y,z |
1_555 |
1 |
1 |
185 |
11.9 |
-2.0 |
0.264 |
0 |
0 |
0 |
0.027 |
| 25 |
28 |
|
[EDO]B:304 |
2 |
1 |
185 |
◊ |
B |
-y,-x,-z+1/2 |
8_555 |
3 |
1 |
12779 |
9.8 |
0.2 |
0.855 |
0 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[EDO]B:304 |
1 |
1 |
185 |
◊ |
[EDO]B:303 |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
1 |
1 |
185 |
7.9 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
|