## |
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 |
|
C |
128 |
33 |
6524 |
◊ |
A |
x,y,z |
1_555 |
138 |
43 |
15117 |
1309.6 |
-8.4 |
0.278 |
24 |
3 |
0 |
0.629 |
2 |
|
D |
66 |
9 |
1432 |
◊ |
A |
x,y,z |
1_555 |
127 |
36 |
15117 |
860.8 |
-10.2 |
0.539 |
20 |
0 |
0 |
0.486 |
3 |
|
A |
91 |
19 |
15117 |
◊ |
A |
-x,y,-z-1/2 |
4_554 |
91 |
19 |
15117 |
735.0 |
-7.5 |
0.273 |
6 |
0 |
0 |
0.000 |
4 |
|
A |
83 |
24 |
15117 |
◊ |
A |
-x-1,y,-z-1/2 |
4_454 |
84 |
24 |
15117 |
707.4 |
4.6 |
0.900 |
8 |
10 |
0 |
0.010 |
5 |
|
C |
39 |
10 |
6524 |
◊ |
A |
x,-y-1,-z |
3_545 |
39 |
9 |
15117 |
287.8 |
-1.8 |
0.487 |
2 |
1 |
0 |
0.051 |
6 |
|
C |
29 |
8 |
6524 |
◊ |
A |
x,-y,-z |
3_555 |
26 |
8 |
15117 |
244.9 |
-1.4 |
0.500 |
2 |
2 |
0 |
0.045 |
7 |
|
[GSH]A:303 |
19 |
1 |
484 |
◊ |
A |
x,y,z |
1_555 |
27 |
7 |
15117 |
232.5 |
-2.0 |
0.727 |
2 |
0 |
0 |
0.074 |
8 |
|
A |
22 |
7 |
15117 |
◊ |
A |
x,-y-1,-z |
3_545 |
22 |
7 |
15117 |
164.3 |
-2.1 |
0.351 |
0 |
0 |
0 |
0.037 |
9 |
|
D |
22 |
5 |
1432 |
◊ |
A |
-x-1,y,-z-1/2 |
4_454 |
19 |
8 |
15117 |
164.0 |
-3.1 |
0.439 |
0 |
0 |
0 |
0.048 |
10 |
|
[GSH]A:303 |
7 |
1 |
484 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
1432 |
91.0 |
-3.1 |
0.278 |
2 |
0 |
0 |
0.229 |
11 |
|
[SO4]A:302 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
3 |
15117 |
82.7 |
-11.5 |
0.781 |
0 |
0 |
0 |
0.480 |
12 |
|
[GSH]A:303 |
7 |
1 |
484 |
◊ |
A |
-x-1,y,-z-1/2 |
4_454 |
11 |
4 |
15117 |
76.2 |
0.4 |
0.745 |
0 |
0 |
0 |
0.000 |
13 |
|
D |
11 |
4 |
1432 |
◊ |
D |
-x-1,y,-z-1/2 |
4_454 |
11 |
4 |
1432 |
66.1 |
-0.9 |
0.741 |
0 |
0 |
0 |
0.026 |
14 |
|
[SO4]C:101 |
4 |
1 |
184 |
f |
[SO4]C:101 |
x,-y,-z |
3_555 |
4 |
1 |
184 |
60.8 |
-13.7 |
0.973 |
0 |
0 |
0 |
0.390 |
15 |
|
[SO4]A:301 |
5 |
1 |
185 |
f |
[SO4]A:301 |
x,-y-1,-z |
3_545 |
5 |
1 |
185 |
52.1 |
-11.4 |
0.993 |
0 |
0 |
0 |
0.197 |
16 |
|
[SO4]A:301 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
15117 |
49.0 |
-5.5 |
0.903 |
0 |
0 |
0 |
0.193 |
17 |
|
[SO4]D:101 |
5 |
1 |
185 |
◊ |
A |
-x-1,y,-z-1/2 |
4_454 |
7 |
3 |
15117 |
44.7 |
-4.4 |
0.893 |
2 |
0 |
0 |
0.219 |
18 |
|
[SO4]D:101 |
5 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
1432 |
41.1 |
-5.3 |
0.854 |
1 |
0 |
0 |
0.328 |
19 |
|
[SO4]C:101 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
6524 |
41.0 |
-4.3 |
0.895 |
2 |
0 |
0 |
0.298 |
20 |
|
[SO4]D:101 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
15117 |
38.6 |
-3.9 |
0.777 |
0 |
0 |
0 |
0.160 |
21 |
|
[SO4]C:101 |
4 |
1 |
184 |
◊ |
C |
x,-y,-z |
3_555 |
5 |
3 |
6524 |
38.5 |
-4.6 |
0.883 |
2 |
0 |
0 |
0.312 |
22 |
|
[SO4]A:301 |
4 |
1 |
185 |
◊ |
A |
x,-y-1,-z |
3_545 |
8 |
4 |
15117 |
37.6 |
-4.5 |
0.790 |
1 |
0 |
0 |
0.171 |
23 |
|
C |
9 |
4 |
6524 |
◊ |
A |
-x,y,-z+1/2 |
4_555 |
7 |
3 |
15117 |
35.7 |
-0.9 |
0.416 |
0 |
0 |
0 |
0.000 |
24 |
|
[SO4]D:101 |
4 |
1 |
185 |
◊ |
D |
-x-1,y,-z-1/2 |
4_454 |
9 |
3 |
1432 |
34.6 |
-3.8 |
0.908 |
1 |
0 |
0 |
0.239 |
25 |
|
[SO4]C:101 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
15117 |
31.8 |
-3.8 |
0.543 |
0 |
0 |
0 |
0.067 |
26 |
|
[SO4]A:301 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
6524 |
28.5 |
-2.5 |
0.894 |
1 |
0 |
0 |
0.053 |
27 |
|
[SO4]D:101 |
4 |
1 |
185 |
cf |
[SO4]D:101 |
-x-1,y,-z-1/2 |
4_454 |
4 |
1 |
185 |
28.2 |
-6.3 |
0.998 |
0 |
0 |
0 |
0.178 |
28 |
|
[SO4]A:301 |
3 |
1 |
185 |
◊ |
C |
x,-y-1,-z |
3_545 |
2 |
1 |
6524 |
16.2 |
-1.4 |
0.898 |
0 |
0 |
0 |
0.025 |
29 |
|
[GSH]A:303 |
1 |
1 |
484 |
◊ |
[SO4]A:302 |
x,y,z |
1_555 |
4 |
1 |
183 |
14.9 |
-1.7 |
0.591 |
0 |
0 |
0 |
0.043 |
30 |
|
C |
3 |
2 |
6524 |
◊ |
C |
x,-y-1,-z |
3_545 |
3 |
2 |
6524 |
12.6 |
-0.1 |
0.563 |
0 |
0 |
0 |
0.001 |
31 |
|
[SO4]C:101 |
2 |
1 |
184 |
◊ |
A |
x,-y,-z |
3_555 |
2 |
1 |
15117 |
8.4 |
-1.0 |
0.741 |
0 |
0 |
0 |
0.018 |
|