## |
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 |
|
B |
187 |
50 |
6772 |
◊ |
A |
x,y,z |
1_555 |
151 |
26 |
3779 |
1573.7 |
-18.3 |
0.455 |
39 |
3 |
0 |
0.987 |
2 |
|
B |
65 |
20 |
6772 |
◊ |
A |
-y-1,x,z |
3_455 |
51 |
14 |
3779 |
515.2 |
-4.9 |
0.559 |
11 |
3 |
0 |
1.000 |
3 |
|
B |
53 |
12 |
6772 |
◊ |
B |
-y-1/2,-x-1/2,-z-1/2 |
16_444 |
52 |
12 |
6772 |
503.9 |
1.2 |
0.866 |
12 |
0 |
0 |
0.125 |
4 |
|
B |
46 |
14 |
6772 |
x |
B |
-y-1,x,z |
3_455 |
53 |
16 |
6772 |
423.6 |
-6.3 |
0.207 |
2 |
0 |
0 |
0.133 |
5 |
|
A |
24 |
7 |
3779 |
◊ |
B |
-x-1/2,y-1/2,-z-1/2 |
13_444 |
29 |
7 |
6772 |
250.9 |
-3.0 |
0.491 |
3 |
2 |
0 |
0.284 |
6 |
|
B |
14 |
7 |
6772 |
◊ |
B |
-x-1,y,-z |
5_455 |
14 |
7 |
6772 |
120.1 |
0.2 |
0.717 |
1 |
0 |
0 |
0.002 |
7 |
|
[PYR]B:25 |
5 |
1 |
206 |
cf |
B |
x,y,z |
1_555 |
11 |
7 |
6772 |
103.0 |
4.3 |
0.535 |
1 |
0 |
0 |
0.000 |
8 |
|
A |
14 |
5 |
3779 |
x |
A |
-y-1,x,z |
3_455 |
15 |
6 |
3779 |
82.3 |
0.8 |
0.792 |
0 |
0 |
0 |
0.000 |
9 |
|
[PEG]B:1121 |
6 |
1 |
261 |
◊ |
B |
-x-1,y,-z |
5_455 |
21 |
9 |
6772 |
79.8 |
2.3 |
0.414 |
2 |
0 |
0 |
0.000 |
10 |
|
[SCN]B:1122 |
3 |
1 |
179 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
6772 |
67.7 |
-1.6 |
0.618 |
0 |
0 |
0 |
0.167 |
11 |
|
[SCN]B:1123 |
3 |
1 |
178 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
6772 |
59.6 |
-1.7 |
0.585 |
0 |
0 |
0 |
0.030 |
12 |
|
B |
9 |
5 |
6772 |
◊ |
[SCN]B:1122 |
-y-1,x,z |
3_455 |
3 |
1 |
179 |
57.9 |
-0.9 |
0.620 |
0 |
0 |
0 |
0.017 |
13 |
|
[PEG]B:1121 |
7 |
1 |
261 |
◊ |
B |
x,y,z |
1_555 |
9 |
7 |
6772 |
55.3 |
1.2 |
0.185 |
0 |
0 |
0 |
0.000 |
14 |
|
[PEG]B:1121 |
3 |
1 |
261 |
◊ |
A |
-x-1,y,-z |
5_455 |
8 |
3 |
3779 |
47.8 |
0.3 |
0.385 |
0 |
0 |
0 |
0.000 |
15 |
|
B |
3 |
1 |
6772 |
◊ |
A |
-y-1/2,-x-1/2,-z-1/2 |
16_444 |
6 |
2 |
3779 |
40.1 |
1.5 |
0.875 |
2 |
0 |
0 |
0.000 |
16 |
|
B |
6 |
3 |
6772 |
◊ |
B |
y,x,-z |
7_555 |
6 |
3 |
6772 |
39.8 |
0.4 |
0.751 |
0 |
0 |
0 |
0.000 |
17 |
|
[SCN]B:1123 |
3 |
1 |
178 |
◊ |
[PEG]B:1121 |
x,y,z |
1_555 |
5 |
1 |
261 |
39.3 |
0.1 |
0.227 |
0 |
0 |
0 |
0.000 |
18 |
|
A |
7 |
2 |
3779 |
◊ |
B |
-y-1,x,z |
3_455 |
4 |
1 |
6772 |
38.0 |
-0.6 |
0.407 |
0 |
0 |
0 |
0.011 |
19 |
|
[SCN]B:1123 |
3 |
1 |
178 |
f |
B |
-x-1,y,-z |
5_455 |
6 |
2 |
6772 |
37.7 |
-1.4 |
0.567 |
1 |
0 |
0 |
0.193 |
20 |
|
[PEG]B:1121 |
5 |
1 |
261 |
f |
[PEG]B:1121 |
-x-1,y,-z |
5_455 |
5 |
1 |
261 |
28.0 |
0.6 |
0.062 |
1 |
0 |
0 |
0.000 |
21 |
|
[SCN]B:1123 |
3 |
1 |
178 |
◊ |
A |
-x-1,y,-z |
5_455 |
3 |
1 |
3779 |
27.8 |
-0.6 |
0.471 |
0 |
0 |
0 |
0.017 |
22 |
|
B |
3 |
2 |
6772 |
◊ |
A |
-x-1,y,-z |
5_455 |
2 |
2 |
3779 |
26.4 |
-0.8 |
0.264 |
0 |
0 |
0 |
0.014 |
23 |
|
[PYR]B:25 |
3 |
1 |
206 |
◊ |
[SCN]B:1122 |
-y-1,x,z |
3_455 |
3 |
1 |
179 |
23.4 |
0.3 |
0.861 |
0 |
0 |
0 |
0.000 |
24 |
|
B |
3 |
2 |
6772 |
x |
B |
x-1/2,-y-1/2,-z-1/2 |
14_444 |
2 |
1 |
6772 |
22.0 |
-0.2 |
0.424 |
0 |
0 |
0 |
0.000 |
25 |
|
[SCN]B:1122 |
1 |
1 |
179 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
3779 |
9.7 |
-0.3 |
0.688 |
0 |
0 |
0 |
0.007 |
26 |
|
[PYR]B:25 |
3 |
1 |
206 |
◊ |
B |
-y-1,x,z |
3_455 |
4 |
2 |
6772 |
8.3 |
0.1 |
0.731 |
0 |
0 |
0 |
0.000 |
27 |
|
[PYR]B:25 |
1 |
1 |
206 |
◊ |
A |
-y-1,x,z |
3_455 |
1 |
1 |
3779 |
1.4 |
0.1 |
0.838 |
0 |
0 |
0 |
0.000 |
28 |
|
[SCN]B:1123 |
1 |
1 |
178 |
◊ |
[PEG]B:1121 |
-x-1,y,-z |
5_455 |
1 |
1 |
261 |
1.4 |
-0.0 |
0.309 |
0 |
0 |
0 |
0.000 |
|