| ## |
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 |
|
B |
72 |
26 |
17468 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
73 |
25 |
17455 |
628.1 |
0.3 |
0.565 |
9 |
0 |
0 |
0.000 |
2 |
|
B |
72 |
24 |
17468 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
70 |
26 |
17455 |
620.9 |
0.4 |
0.567 |
9 |
0 |
0 |
0.000 |
| Average: |
624.5 |
0.3 |
0.566 |
9 |
0 |
0 |
0.000 |
| 2 |
3 |
|
B |
63 |
15 |
17468 |
◊ |
A |
x,y,z |
1_555 |
62 |
15 |
17455 |
561.3 |
-4.0 |
0.381 |
4 |
4 |
0 |
0.080 |
| 3 |
4 |
|
A |
29 |
9 |
17455 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
29 |
9 |
17455 |
207.9 |
0.7 |
0.716 |
2 |
0 |
0 |
0.000 |
| 4 |
5 |
|
[MES]A:1003 |
12 |
1 |
334 |
◊ |
A |
x,y,z |
1_555 |
26 |
10 |
17455 |
178.4 |
2.7 |
0.136 |
0 |
0 |
0 |
0.000 |
| 5 |
6 |
|
[MES]B:1003 |
12 |
1 |
337 |
◊ |
B |
x,y,z |
1_555 |
26 |
10 |
17468 |
177.3 |
2.7 |
0.133 |
0 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[GOL]B:1005 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
27 |
12 |
17468 |
146.2 |
-0.7 |
0.491 |
2 |
0 |
0 |
0.041 |
8 |
|
[GOL]A:1005 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
27 |
12 |
17455 |
144.1 |
-0.7 |
0.493 |
2 |
0 |
0 |
0.041 |
| Average: |
145.1 |
-0.7 |
0.492 |
2 |
0 |
0 |
0.041 |
| 7 |
9 |
|
[GOL]A:1004 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
29 |
12 |
17455 |
120.7 |
-0.7 |
0.510 |
6 |
0 |
0 |
0.084 |
10 |
|
[GOL]B:1004 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
28 |
11 |
17468 |
120.3 |
-0.6 |
0.514 |
6 |
0 |
0 |
0.084 |
| Average: |
120.5 |
-0.7 |
0.512 |
6 |
0 |
0 |
0.084 |
| 8 |
11 |
|
[SO4]A:1002 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
17455 |
84.7 |
-11.3 |
0.859 |
3 |
0 |
0 |
0.323 |
12 |
|
[SO4]B:1002 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
17468 |
83.3 |
-11.2 |
0.853 |
4 |
0 |
0 |
0.323 |
| Average: |
84.0 |
-11.2 |
0.856 |
4 |
0 |
0 |
0.323 |
| 9 |
13 |
|
[MES]B:1003 |
3 |
1 |
337 |
f |
A |
-x-1/2,-y,z-1/2 |
2_454 |
6 |
4 |
17455 |
54.1 |
1.3 |
0.367 |
0 |
0 |
0 |
0.000 |
| 10 |
14 |
|
B |
6 |
4 |
17468 |
f |
[MES]A:1003 |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
334 |
53.9 |
1.4 |
0.393 |
0 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[GOL]A:1005 |
5 |
1 |
218 |
f |
[GOL]A:1004 |
x,y,z |
1_555 |
3 |
1 |
218 |
40.4 |
-0.2 |
0.490 |
1 |
0 |
0 |
0.015 |
16 |
|
[GOL]B:1005 |
5 |
1 |
220 |
f |
[GOL]B:1004 |
x,y,z |
1_555 |
3 |
1 |
218 |
39.9 |
-0.1 |
0.490 |
1 |
0 |
0 |
0.015 |
| Average: |
40.1 |
-0.2 |
0.490 |
1 |
0 |
0 |
0.015 |
| 12 |
17 |
|
[ZN]A:1001 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
17468 |
34.0 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.491 |
18 |
|
[ZN]A:1001 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
17455 |
33.5 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.491 |
| Average: |
33.7 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.491 |
| 13 |
19 |
|
B |
5 |
2 |
17468 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
17455 |
33.0 |
0.4 |
0.595 |
0 |
0 |
0 |
0.000 |
| 14 |
20 |
|
A |
4 |
2 |
17455 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
2 |
17468 |
27.9 |
1.2 |
0.900 |
1 |
1 |
0 |
0.000 |
| 15 |
21 |
|
B |
2 |
2 |
17468 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
17455 |
4.9 |
0.1 |
0.720 |
0 |
0 |
0 |
0.000 |
|