## |
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 |
|
[MH0]A:201 |
43 |
1 |
811 |
f |
A |
x,y,z |
1_555 |
74 |
23 |
7484 |
580.2 |
-18.4 |
0.355 |
1 |
0 |
0 |
0.067 |
2 |
|
[MH0]B:201 |
43 |
1 |
815 |
f |
B |
x,y,z |
1_555 |
74 |
23 |
7389 |
577.7 |
-19.6 |
0.256 |
1 |
0 |
0 |
0.067 |
Average: |
578.9 |
-19.0 |
0.305 |
1 |
0 |
0 |
0.067 |
2 |
3 |
|
B |
54 |
14 |
7389 |
◊ |
A |
x,y,z |
1_555 |
56 |
15 |
7484 |
460.6 |
2.2 |
0.825 |
3 |
3 |
0 |
0.000 |
3 |
4 |
|
A |
30 |
10 |
7484 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
41 |
15 |
7389 |
303.9 |
-2.3 |
0.413 |
2 |
0 |
0 |
0.000 |
5 |
|
A |
39 |
12 |
7484 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
28 |
8 |
7389 |
289.7 |
-2.7 |
0.352 |
2 |
0 |
0 |
0.000 |
Average: |
296.8 |
-2.5 |
0.382 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
B |
26 |
7 |
7389 |
◊ |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
28 |
7 |
7484 |
247.1 |
-2.1 |
0.385 |
5 |
6 |
0 |
0.000 |
5 |
7 |
|
A |
20 |
5 |
7484 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
23 |
6 |
7484 |
198.6 |
-1.5 |
0.411 |
2 |
0 |
0 |
0.000 |
8 |
|
B |
19 |
6 |
7389 |
x |
B |
-x-1/2,-y,z-1/2 |
2_454 |
22 |
5 |
7389 |
195.9 |
-0.8 |
0.521 |
2 |
0 |
0 |
0.000 |
Average: |
197.2 |
-1.2 |
0.466 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
B |
20 |
8 |
7389 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
21 |
8 |
7484 |
198.4 |
-2.1 |
0.300 |
1 |
0 |
0 |
0.000 |
10 |
|
B |
15 |
5 |
7389 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
19 |
8 |
7484 |
177.6 |
-1.4 |
0.347 |
2 |
0 |
0 |
0.000 |
Average: |
188.0 |
-1.7 |
0.323 |
2 |
0 |
0 |
0.000 |
7 |
11 |
|
[BML]A:202 |
8 |
1 |
270 |
f |
A |
x,y,z |
1_555 |
25 |
10 |
7484 |
144.6 |
2.0 |
0.228 |
0 |
0 |
0 |
0.000 |
12 |
|
[BML]B:202 |
8 |
1 |
271 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
7389 |
141.5 |
2.1 |
0.200 |
0 |
0 |
0 |
0.000 |
Average: |
143.0 |
2.1 |
0.214 |
0 |
0 |
0 |
0.000 |
8 |
13 |
|
[EDO]B:203 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
7389 |
103.9 |
3.3 |
0.482 |
4 |
0 |
0 |
0.000 |
9 |
14 |
|
A |
8 |
4 |
7484 |
x |
A |
-x+1/2,-y,z-1/2 |
2_554 |
10 |
2 |
7484 |
103.8 |
0.2 |
0.592 |
0 |
0 |
0 |
0.000 |
15 |
|
B |
11 |
2 |
7389 |
x |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
12 |
5 |
7389 |
101.9 |
0.9 |
0.611 |
0 |
1 |
0 |
0.000 |
Average: |
102.9 |
0.5 |
0.602 |
0 |
1 |
0 |
0.000 |
10 |
16 |
|
[EDO]B:204 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
7389 |
94.9 |
2.6 |
0.458 |
2 |
0 |
0 |
0.000 |
11 |
17 |
|
[BML]A:202 |
6 |
1 |
270 |
f |
[MH0]A:201 |
x,y,z |
1_555 |
27 |
1 |
811 |
87.5 |
-0.1 |
0.262 |
2 |
0 |
0 |
0.003 |
18 |
|
[BML]B:202 |
6 |
1 |
271 |
f |
[MH0]B:201 |
x,y,z |
1_555 |
28 |
1 |
815 |
86.7 |
0.1 |
0.218 |
1 |
0 |
0 |
0.003 |
Average: |
87.1 |
-0.0 |
0.240 |
2 |
0 |
0 |
0.003 |
12 |
19 |
|
[SO4]A:203 |
5 |
1 |
184 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
13 |
5 |
7389 |
70.4 |
-10.0 |
0.758 |
2 |
0 |
0 |
0.000 |
13 |
20 |
|
B |
7 |
2 |
7389 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
2 |
7484 |
70.3 |
1.8 |
0.895 |
2 |
5 |
0 |
0.000 |
14 |
21 |
|
[SO4]A:203 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
7484 |
70.2 |
-10.6 |
0.637 |
2 |
0 |
0 |
0.041 |
15 |
22 |
|
[SO4]B:205 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
7389 |
63.0 |
-9.6 |
0.612 |
2 |
0 |
0 |
0.034 |
16 |
23 |
|
A |
12 |
5 |
7484 |
◊ |
[SO4]B:205 |
-x,y-1/2,-z-1/2 |
3_544 |
5 |
1 |
184 |
62.3 |
-8.3 |
0.772 |
2 |
0 |
0 |
0.000 |
17 |
24 |
|
[EDO]B:204 |
4 |
1 |
183 |
f |
[SO4]B:205 |
x,y,z |
1_555 |
4 |
1 |
184 |
35.9 |
-2.9 |
0.999 |
2 |
0 |
0 |
0.012 |
18 |
25 |
|
A |
5 |
2 |
7484 |
f |
[EDO]B:203 |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
183 |
33.2 |
1.0 |
0.542 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
A |
3 |
2 |
7484 |
◊ |
[EDO]B:204 |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
183 |
19.9 |
0.1 |
0.538 |
0 |
0 |
0 |
0.000 |
|