| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
A |
91 |
32 |
8913 |
x |
A |
z,-x+1/2,-y+1/2 |
18_555 |
91 |
28 |
8913 |
915.9 |
-20.3 |
0.425 |
2 |
0 |
0 |
0.983 |
2 |
|
A |
51 |
16 |
8913 |
◊ |
A |
x,-y+1,-z |
4_565 |
51 |
16 |
8913 |
584.6 |
-12.9 |
0.377 |
2 |
0 |
0 |
0.612 |
3 |
|
[GSH]A:201 |
17 |
1 |
446 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
8913 |
173.1 |
-0.6 |
0.851 |
11 |
0 |
0 |
0.487 |
4 |
|
A |
27 |
10 |
8913 |
◊ |
[GSH]A:201 |
z,-x+1/2,-y+1/2 |
18_555 |
17 |
1 |
446 |
167.7 |
-2.2 |
0.786 |
3 |
0 |
0 |
0.162 |
5 |
|
A |
14 |
3 |
8913 |
x |
A |
z,x,y |
5_555 |
17 |
6 |
8913 |
136.4 |
-1.4 |
0.779 |
0 |
0 |
0 |
0.053 |
6 |
|
A |
14 |
4 |
8913 |
◊ |
A |
-x+1/2,-y+1/2,z |
38_555 |
14 |
4 |
8913 |
122.5 |
-2.3 |
0.609 |
0 |
0 |
0 |
0.038 |
7 |
|
A |
15 |
6 |
8913 |
f |
[EDO]A:215 |
z,-x+1/2,-y+1/2 |
18_555 |
4 |
1 |
184 |
72.8 |
1.9 |
0.336 |
6 |
0 |
0 |
0.063 |
8 |
|
[EDO]A:215 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
8913 |
66.2 |
1.8 |
0.625 |
0 |
0 |
0 |
0.000 |
9 |
|
[EDO]A:216 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
8913 |
57.9 |
1.9 |
0.969 |
1 |
0 |
0 |
0.000 |
10 |
|
[SO4]A:250 |
5 |
1 |
185 |
f |
[SO4]A:250 |
-x+1/2,-y+1/2,z |
38_555 |
5 |
1 |
185 |
56.1 |
-12.6 |
0.993 |
0 |
0 |
0 |
0.212 |
11 |
|
[EDO]A:217 |
4 |
1 |
185 |
◊ |
A |
z,-x+1/2,-y+1/2 |
18_555 |
5 |
4 |
8913 |
55.2 |
1.7 |
0.945 |
1 |
0 |
0 |
0.000 |
12 |
|
[SO4]A:250 |
4 |
1 |
185 |
◊ |
A |
-x+1/2,-y+1/2,z |
38_555 |
9 |
4 |
8913 |
53.3 |
-7.4 |
0.860 |
3 |
0 |
0 |
0.294 |
13 |
|
[SO4]A:250 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
8913 |
53.2 |
-7.4 |
0.898 |
4 |
0 |
0 |
0.309 |
14 |
|
[EDO]A:217 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
8913 |
49.5 |
0.1 |
0.771 |
0 |
0 |
0 |
0.000 |
15 |
|
[SO4]A:251 |
5 |
1 |
185 |
fx |
[SO4]A:251 |
z,x,y |
5_555 |
5 |
1 |
185 |
49.5 |
-10.9 |
0.993 |
0 |
0 |
0 |
0.425 |
16 |
|
[EDO]A:214 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
8913 |
48.7 |
1.3 |
0.951 |
2 |
0 |
0 |
0.000 |
17 |
|
A |
10 |
4 |
8913 |
◊ |
[EDO]A:216 |
z,-x+1/2,-y+1/2 |
18_555 |
4 |
1 |
186 |
44.1 |
0.7 |
0.869 |
0 |
0 |
0 |
0.000 |
18 |
|
A |
5 |
2 |
8913 |
◊ |
[SO4]A:251 |
z,x,y |
5_555 |
4 |
1 |
185 |
36.9 |
-2.5 |
0.968 |
1 |
0 |
0 |
0.113 |
19 |
|
A |
6 |
4 |
8913 |
◊ |
[EDO]A:214 |
z,-x+1/2,-y+1/2 |
18_555 |
4 |
1 |
183 |
35.7 |
1.1 |
0.948 |
1 |
0 |
0 |
0.000 |
20 |
|
[SO4]A:251 |
4 |
1 |
185 |
◊ |
A |
z,x,y |
5_555 |
5 |
2 |
8913 |
35.5 |
-2.5 |
0.968 |
1 |
0 |
0 |
0.116 |
21 |
|
[EDO]A:217 |
4 |
1 |
185 |
◊ |
[GSH]A:201 |
z,-x+1/2,-y+1/2 |
18_555 |
2 |
1 |
446 |
35.3 |
-0.2 |
0.397 |
1 |
0 |
0 |
0.031 |
22 |
|
[EDO]A:214 |
3 |
1 |
183 |
x |
[EDO]A:214 |
z,-x+1/2,-y+1/2 |
18_555 |
3 |
1 |
183 |
33.7 |
1.9 |
0.354 |
0 |
0 |
0 |
0.000 |
23 |
|
[EDO]A:217 |
3 |
1 |
185 |
◊ |
[EDO]A:216 |
z,-x+1/2,-y+1/2 |
18_555 |
2 |
1 |
186 |
32.7 |
1.6 |
1.000 |
1 |
0 |
0 |
0.000 |
24 |
|
[SO4]A:251 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8913 |
32.4 |
-2.3 |
0.982 |
2 |
0 |
0 |
0.123 |
25 |
|
[EDO]A:214 |
3 |
1 |
183 |
◊ |
A |
z,-x+1/2,-y+1/2 |
18_555 |
5 |
4 |
8913 |
20.5 |
0.7 |
0.949 |
0 |
0 |
0 |
0.000 |
26 |
|
[EDO]A:216 |
2 |
1 |
186 |
f |
[GSH]A:201 |
x,y,z |
1_555 |
1 |
1 |
446 |
16.1 |
-0.2 |
0.387 |
0 |
0 |
0 |
0.015 |
27 |
|
[EDO]A:215 |
2 |
1 |
184 |
◊ |
[GSH]A:201 |
x,y,z |
1_555 |
1 |
1 |
446 |
4.1 |
0.1 |
0.707 |
0 |
0 |
0 |
0.000 |
28 |
|
A |
2 |
2 |
8913 |
◊ |
[SO4]A:250 |
z,x,y |
5_555 |
1 |
1 |
185 |
2.6 |
-0.3 |
0.806 |
0 |
0 |
0 |
0.004 |
|