| ## |
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 |
34 |
8 |
1875 |
x |
A |
-y+2,x-y+1,z |
2_765 |
34 |
8 |
1875 |
329.4 |
-3.5 |
0.243 |
4 |
8 |
0 |
1.000 |
2 |
|
A |
30 |
7 |
1875 |
◊ |
A |
y-1/3,x+1/3,-z+1/3 |
10_455 |
30 |
7 |
1875 |
256.9 |
6.0 |
0.799 |
8 |
16 |
0 |
0.000 |
3 |
|
A |
16 |
2 |
1875 |
◊ |
A |
-x+4/3,-x+y+2/3,-z+2/3 |
18_655 |
16 |
2 |
1875 |
106.1 |
0.3 |
0.507 |
0 |
0 |
0 |
0.000 |
4 |
|
A |
13 |
3 |
1875 |
x |
A |
-x+5/3,-x+y+1/3,-z+1/3 |
12_655 |
16 |
3 |
1875 |
83.9 |
0.7 |
0.574 |
1 |
1 |
0 |
0.000 |
5 |
|
[SIN]A:0 |
7 |
1 |
237 |
cf |
A |
x,y,z |
1_555 |
11 |
4 |
1875 |
79.9 |
2.1 |
0.244 |
6 |
0 |
0 |
0.666 |
6 |
|
[SO4]A:102 |
5 |
1 |
188 |
f |
[SO4]A:102 |
x-y+2/3,-y+4/3,-z+1/3 |
11_565 |
5 |
1 |
188 |
60.0 |
-13.3 |
0.993 |
0 |
0 |
0 |
0.318 |
7 |
|
[SO4]A:102 |
5 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
1875 |
57.2 |
-8.0 |
0.524 |
0 |
0 |
0 |
0.383 |
8 |
|
A |
7 |
4 |
1875 |
x |
A |
-y+5/3,x-y+4/3,z+1/3 |
8_665 |
6 |
2 |
1875 |
54.6 |
0.1 |
0.544 |
1 |
0 |
0 |
0.000 |
9 |
|
[SO4]A:102 |
4 |
1 |
188 |
◊ |
A |
x-y+2/3,-y+4/3,-z+1/3 |
11_565 |
8 |
4 |
1875 |
48.4 |
-6.5 |
0.531 |
0 |
0 |
0 |
0.310 |
10 |
|
[SO4]A:101 |
5 |
1 |
188 |
f |
[SO4]A:101 |
x-y+4/3,-y+8/3,-z+2/3 |
17_675 |
5 |
1 |
188 |
44.2 |
-9.3 |
0.993 |
0 |
0 |
0 |
0.448 |
11 |
|
[SIN]A:0 |
5 |
1 |
237 |
◊ |
[SIN]A:0 |
x-y+1,-y+2,-z |
5_675 |
5 |
1 |
237 |
41.9 |
2.0 |
0.123 |
0 |
0 |
0 |
0.000 |
12 |
|
A |
4 |
2 |
1875 |
◊ |
[SIN]A:0 |
-y+2,x-y+1,z |
2_765 |
5 |
1 |
237 |
38.1 |
0.1 |
0.163 |
0 |
0 |
0 |
0.000 |
13 |
|
[NH2]A:16 |
1 |
1 |
117 |
cf |
A |
x,y,z |
1_555 |
6 |
4 |
1875 |
38.0 |
0.5 |
0.672 |
0 |
0 |
0 |
0.000 |
14 |
|
A |
6 |
1 |
1875 |
◊ |
A |
x-y+2/3,-y+4/3,-z+1/3 |
11_565 |
6 |
1 |
1875 |
36.2 |
0.6 |
0.675 |
0 |
0 |
0 |
0.000 |
15 |
|
[SO4]A:101 |
5 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
1875 |
33.3 |
-3.5 |
0.766 |
3 |
0 |
0 |
0.360 |
16 |
|
[SO4]A:101 |
5 |
1 |
188 |
◊ |
A |
x-y+4/3,-y+8/3,-z+2/3 |
17_675 |
9 |
2 |
1875 |
33.1 |
-3.4 |
0.764 |
1 |
0 |
0 |
0.286 |
17 |
|
A |
3 |
1 |
1875 |
◊ |
[SO4]A:101 |
-y+2,x-y+1,z |
2_765 |
4 |
1 |
188 |
26.4 |
-2.0 |
0.919 |
2 |
0 |
0 |
0.277 |
18 |
|
A |
4 |
1 |
1875 |
◊ |
[SO4]A:101 |
y-2/3,x-1/3,-z+2/3 |
16_445 |
4 |
1 |
188 |
26.2 |
-2.0 |
0.891 |
2 |
0 |
0 |
0.279 |
19 |
|
[NH2]A:16 |
1 |
1 |
117 |
◊ |
A |
-y+5/3,x-y+4/3,z+1/3 |
8_665 |
4 |
1 |
1875 |
21.3 |
0.1 |
0.723 |
0 |
0 |
0 |
0.000 |
20 |
|
[SO4]A:101 |
2 |
1 |
188 |
◊ |
A |
-y+5/3,x-y+4/3,z+1/3 |
8_665 |
6 |
2 |
1875 |
18.4 |
-2.2 |
0.637 |
0 |
0 |
0 |
0.160 |
21 |
|
A |
2 |
1 |
1875 |
◊ |
[SIN]A:0 |
-y+5/3,x-y+4/3,z+1/3 |
8_665 |
2 |
1 |
237 |
18.2 |
0.8 |
0.498 |
0 |
0 |
0 |
0.000 |
22 |
|
A |
7 |
2 |
1875 |
◊ |
[SO4]A:101 |
-x+5/3,-x+y+1/3,-z+1/3 |
12_655 |
2 |
1 |
188 |
16.1 |
-2.0 |
0.664 |
0 |
0 |
0 |
0.146 |
23 |
|
[NH2]A:16 |
1 |
1 |
117 |
◊ |
A |
y-1/3,x+1/3,-z+1/3 |
10_455 |
2 |
1 |
1875 |
16.0 |
0.5 |
0.914 |
0 |
0 |
0 |
0.000 |
24 |
|
[NH2]A:16 |
1 |
1 |
117 |
◊ |
[SIN]A:0 |
-y+5/3,x-y+4/3,z+1/3 |
8_665 |
3 |
1 |
237 |
11.6 |
0.5 |
0.366 |
0 |
0 |
0 |
0.000 |
25 |
|
A |
3 |
1 |
1875 |
◊ |
[NH2]A:16 |
-x+5/3,-x+y+1/3,-z+1/3 |
12_655 |
1 |
1 |
117 |
9.6 |
0.2 |
0.829 |
0 |
0 |
0 |
0.000 |
26 |
|
A |
1 |
1 |
1875 |
x |
A |
y-2/3,x-1/3,-z+2/3 |
16_445 |
3 |
2 |
1875 |
9.1 |
0.3 |
0.704 |
0 |
0 |
0 |
0.000 |
27 |
|
[SIN]A:0 |
3 |
1 |
237 |
◊ |
A |
x-y+1,-y+2,-z |
5_675 |
2 |
2 |
1875 |
8.9 |
0.5 |
0.321 |
0 |
0 |
0 |
0.000 |
28 |
|
[SO4]A:102 |
3 |
1 |
188 |
◊ |
A |
-y+2,x-y+1,z |
2_765 |
2 |
1 |
1875 |
7.3 |
-0.7 |
0.826 |
0 |
0 |
0 |
0.000 |
29 |
|
[SIN]A:0 |
3 |
1 |
237 |
◊ |
[NH2]A:16 |
y-1/3,x+1/3,-z+1/3 |
10_455 |
1 |
1 |
117 |
7.2 |
0.0 |
0.301 |
0 |
0 |
0 |
0.000 |
30 |
|
[SIN]A:0 |
3 |
1 |
237 |
◊ |
A |
y-1/3,x+1/3,-z+1/3 |
10_455 |
2 |
1 |
1875 |
6.5 |
0.1 |
0.238 |
0 |
0 |
0 |
0.000 |
31 |
|
[SO4]A:102 |
2 |
1 |
188 |
◊ |
A |
-x+5/3,-x+y+1/3,-z+1/3 |
12_655 |
1 |
1 |
1875 |
4.0 |
-0.5 |
0.840 |
0 |
0 |
0 |
0.000 |
32 |
|
[SO4]A:101 |
1 |
1 |
188 |
◊ |
[NH2]A:16 |
x,y,z |
1_555 |
1 |
1 |
117 |
0.1 |
-0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|