## |
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 |
218 |
60 |
11649 |
◊ |
A |
x,y,z |
1_555 |
198 |
53 |
11805 |
1830.6 |
-24.8 |
0.041 |
14 |
3 |
0 |
0.650 |
2 |
|
L |
212 |
57 |
11494 |
◊ |
H |
x,y,z |
1_555 |
192 |
54 |
11666 |
1778.5 |
-23.1 |
0.058 |
12 |
2 |
0 |
0.650 |
Average: |
1804.6 |
-23.9 |
0.049 |
13 |
3 |
0 |
0.650 |
2 |
3 |
|
L |
63 |
20 |
11494 |
◊ |
B |
x,y,z |
1_555 |
64 |
20 |
11649 |
560.2 |
4.6 |
0.896 |
9 |
1 |
0 |
0.000 |
3 |
4 |
|
B |
44 |
15 |
11649 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
49 |
16 |
11666 |
454.2 |
0.2 |
0.711 |
7 |
0 |
0 |
0.000 |
4 |
5 |
|
H |
46 |
11 |
11666 |
◊ |
L |
-x+1,y-1/2,-z |
2_645 |
41 |
15 |
11494 |
403.2 |
-3.9 |
0.325 |
5 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
43 |
18 |
11649 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
42 |
11 |
11805 |
398.6 |
-3.7 |
0.324 |
4 |
0 |
0 |
0.000 |
6 |
7 |
|
H |
31 |
12 |
11666 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
34 |
8 |
11494 |
275.7 |
0.3 |
0.700 |
2 |
0 |
0 |
0.000 |
7 |
8 |
|
B |
24 |
10 |
11649 |
◊ |
H |
x,y,z |
1_555 |
23 |
7 |
11666 |
209.2 |
-1.5 |
0.461 |
0 |
2 |
0 |
0.000 |
8 |
9 |
|
L |
20 |
8 |
11494 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
25 |
8 |
11805 |
186.1 |
-1.1 |
0.531 |
2 |
0 |
0 |
0.000 |
9 |
10 |
|
[SO4]H:301 |
5 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
14 |
7 |
11666 |
102.0 |
-14.8 |
0.812 |
4 |
0 |
0 |
0.366 |
10 |
11 |
|
[SO4]A:301 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
11805 |
101.0 |
-14.3 |
0.856 |
6 |
0 |
0 |
0.350 |
11 |
12 |
|
L |
10 |
4 |
11494 |
x |
L |
-x+1,y-1/2,-z |
2_645 |
9 |
4 |
11494 |
65.8 |
0.3 |
0.668 |
0 |
0 |
0 |
0.000 |
12 |
13 |
|
A |
7 |
2 |
11805 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
6 |
3 |
11666 |
45.0 |
0.4 |
0.685 |
0 |
0 |
0 |
0.000 |
13 |
14 |
|
B |
3 |
1 |
11649 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
11649 |
41.1 |
-0.3 |
0.444 |
0 |
0 |
0 |
0.000 |
14 |
15 |
|
L |
5 |
2 |
11494 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11805 |
37.2 |
-0.7 |
0.207 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
B |
4 |
3 |
11649 |
◊ |
L |
x,y-1,z |
1_545 |
4 |
2 |
11494 |
34.7 |
0.2 |
0.625 |
1 |
0 |
0 |
0.000 |
16 |
17 |
|
[SO4]H:301 |
4 |
1 |
184 |
◊ |
L |
-x+1,y-1/2,-z |
2_645 |
4 |
2 |
11494 |
33.0 |
-4.2 |
0.433 |
0 |
0 |
0 |
0.000 |
17 |
18 |
|
B |
3 |
2 |
11649 |
◊ |
[SO4]A:301 |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
185 |
22.2 |
-2.6 |
0.487 |
0 |
0 |
0 |
0.000 |
18 |
19 |
|
L |
7 |
4 |
11494 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
11666 |
19.7 |
-0.3 |
0.448 |
0 |
0 |
0 |
0.000 |
20 |
|
A |
1 |
1 |
11805 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
11649 |
6.0 |
0.1 |
0.765 |
0 |
0 |
0 |
0.000 |
Average: |
12.8 |
-0.1 |
0.606 |
0 |
0 |
0 |
0.000 |
19 |
21 |
|
A |
3 |
1 |
11805 |
x |
A |
x,y-1,z |
1_545 |
3 |
2 |
11805 |
15.0 |
-0.1 |
0.548 |
0 |
0 |
0 |
0.000 |
20 |
22 |
|
B |
1 |
1 |
11649 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
3 |
1 |
11494 |
7.5 |
0.1 |
0.698 |
0 |
0 |
0 |
0.000 |
21 |
23 |
|
H |
1 |
1 |
11666 |
x |
H |
-x,y-1/2,-z |
2_545 |
1 |
1 |
11666 |
0.3 |
0.0 |
0.668 |
0 |
0 |
0 |
0.000 |
|