## |
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 |
107 |
28 |
6735 |
◊ |
A |
x,y,z |
1_555 |
113 |
29 |
6956 |
1068.8 |
-11.9 |
0.291 |
8 |
0 |
0 |
0.538 |
2 |
|
C |
103 |
28 |
6737 |
◊ |
C |
-x,y,-z+1 |
2_556 |
101 |
28 |
6737 |
1008.6 |
-9.1 |
0.373 |
10 |
0 |
0 |
0.538 |
Average: |
1038.7 |
-10.5 |
0.332 |
9 |
0 |
0 |
0.538 |
2 |
3 |
|
A |
46 |
12 |
6956 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
49 |
11 |
6735 |
454.0 |
-0.2 |
0.774 |
4 |
3 |
0 |
0.000 |
3 |
4 |
|
[EAM]C:1183 |
30 |
1 |
654 |
◊ |
C |
x,y,z |
1_555 |
45 |
16 |
6737 |
396.1 |
-3.4 |
0.335 |
0 |
0 |
0 |
0.152 |
5 |
|
[EAM]A:1188 |
30 |
1 |
647 |
◊ |
A |
x,y,z |
1_555 |
50 |
19 |
6956 |
395.2 |
-2.4 |
0.318 |
0 |
0 |
0 |
0.152 |
6 |
|
[EAM]B:1183 |
30 |
1 |
644 |
◊ |
B |
x,y,z |
1_555 |
48 |
17 |
6735 |
378.4 |
-3.3 |
0.342 |
0 |
0 |
0 |
0.152 |
Average: |
389.9 |
-3.0 |
0.332 |
0 |
0 |
0 |
0.152 |
4 |
7 |
|
C |
31 |
6 |
6737 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
45 |
11 |
6735 |
327.4 |
-3.1 |
0.441 |
3 |
0 |
0 |
0.144 |
5 |
8 |
|
B |
28 |
9 |
6735 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
27 |
9 |
6956 |
322.3 |
-2.4 |
0.451 |
4 |
2 |
0 |
0.075 |
6 |
9 |
|
C |
32 |
11 |
6737 |
◊ |
A |
x,y,z |
1_555 |
34 |
11 |
6956 |
273.6 |
-2.0 |
0.509 |
1 |
0 |
0 |
0.041 |
7 |
10 |
|
C |
24 |
9 |
6737 |
◊ |
A |
-x,y,-z |
2_555 |
20 |
5 |
6956 |
198.0 |
-2.2 |
0.426 |
2 |
0 |
0 |
0.052 |
8 |
11 |
|
[EAM]C:1183 |
14 |
1 |
654 |
f |
A |
x,y,z |
1_555 |
21 |
6 |
6956 |
169.4 |
-6.1 |
0.226 |
1 |
0 |
0 |
0.227 |
9 |
12 |
|
[SO4]C:1182 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
6737 |
86.3 |
-13.4 |
0.700 |
2 |
0 |
0 |
0.679 |
10 |
13 |
|
[SO4]C:1182 |
4 |
1 |
185 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
13 |
5 |
6735 |
61.8 |
-7.9 |
0.899 |
2 |
0 |
0 |
0.285 |
11 |
14 |
|
B |
5 |
1 |
6735 |
f |
[EAM]A:1188 |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
647 |
36.7 |
-3.2 |
0.220 |
0 |
0 |
0 |
0.236 |
15 |
|
[EAM]B:1183 |
2 |
1 |
644 |
f |
A |
-x+1/2,y-1/2,-z |
4_545 |
5 |
1 |
6956 |
35.7 |
-3.6 |
0.220 |
0 |
0 |
0 |
0.236 |
Average: |
36.2 |
-3.4 |
0.220 |
0 |
0 |
0 |
0.236 |
12 |
16 |
|
C |
3 |
2 |
6737 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6735 |
25.5 |
0.2 |
0.714 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
B |
1 |
1 |
6735 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
6735 |
3.0 |
0.1 |
0.630 |
0 |
0 |
0 |
0.000 |
|