| ## |
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 |
16 |
10557 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
73 |
16 |
11117 |
602.7 |
-5.2 |
0.433 |
6 |
0 |
0 |
0.055 |
| 2 |
2 |
|
B |
63 |
26 |
10557 |
◊ |
A |
x,y,z |
1_555 |
63 |
24 |
11117 |
540.8 |
-2.5 |
0.651 |
7 |
7 |
0 |
0.047 |
| 3 |
3 |
|
B |
54 |
14 |
10557 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
53 |
14 |
10557 |
516.3 |
-5.0 |
0.370 |
4 |
0 |
0 |
0.041 |
4 |
|
A |
55 |
15 |
11117 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
54 |
15 |
11117 |
515.0 |
-4.1 |
0.415 |
2 |
0 |
0 |
0.041 |
| Average: |
515.6 |
-4.5 |
0.393 |
3 |
0 |
0 |
0.041 |
| 4 |
5 |
|
A |
36 |
11 |
11117 |
◊ |
B |
-y,-x+1,-z+1/2 |
8_565 |
44 |
12 |
10557 |
367.6 |
-6.6 |
0.124 |
2 |
0 |
0 |
0.000 |
| 5 |
6 |
|
A |
34 |
9 |
11117 |
◊ |
B |
x-1/2,-y+1/2,-z+3/4 |
6_455 |
35 |
9 |
10557 |
276.2 |
-1.0 |
0.636 |
2 |
0 |
0 |
0.000 |
7 |
|
B |
23 |
7 |
10557 |
◊ |
A |
-x+3/2,y-1/2,-z+1/4 |
5_645 |
23 |
9 |
11117 |
172.6 |
1.3 |
0.837 |
2 |
1 |
0 |
0.000 |
| Average: |
224.4 |
0.1 |
0.737 |
2 |
1 |
0 |
0.000 |
| 6 |
8 |
|
B |
24 |
10 |
10557 |
◊ |
A |
-y+1/2,x-1/2,z+1/4 |
3_545 |
21 |
8 |
11117 |
188.3 |
-3.8 |
0.182 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
B |
19 |
4 |
10557 |
◊ |
A |
-y+3/2,x-1/2,z+1/4 |
3_645 |
18 |
4 |
11117 |
164.6 |
0.3 |
0.731 |
1 |
0 |
0 |
0.000 |
| 8 |
10 |
|
A |
18 |
10 |
11117 |
x |
A |
-y+1/2,x-1/2,z+1/4 |
3_545 |
12 |
5 |
11117 |
130.3 |
0.1 |
0.641 |
1 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[SO4]B:1501 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
26 |
13 |
10557 |
121.4 |
-19.9 |
0.704 |
7 |
0 |
0 |
0.325 |
12 |
|
[SO4]A:501 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
25 |
12 |
11117 |
120.9 |
-20.2 |
0.686 |
7 |
0 |
0 |
0.325 |
| Average: |
121.1 |
-20.1 |
0.695 |
7 |
0 |
0 |
0.325 |
| 10 |
13 |
|
[SO4]B:1502 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
10557 |
102.1 |
-12.6 |
0.959 |
4 |
0 |
0 |
0.101 |
| 11 |
14 |
|
[SO4]A:502 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
11117 |
90.6 |
-11.1 |
0.947 |
2 |
0 |
0 |
0.084 |
| 12 |
15 |
|
[SO4]B:1503 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
10557 |
78.3 |
-12.0 |
0.571 |
2 |
0 |
0 |
0.090 |
| 13 |
16 |
|
[SO4]A:503 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
11117 |
74.9 |
-11.3 |
0.631 |
3 |
0 |
0 |
0.089 |
| 14 |
17 |
|
[SO4]A:504 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
11117 |
67.0 |
-9.6 |
0.686 |
1 |
0 |
0 |
0.070 |
| 15 |
18 |
|
[SO4]B:1504 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
10557 |
65.0 |
-9.2 |
0.649 |
1 |
0 |
0 |
0.068 |
| 16 |
19 |
|
A |
5 |
2 |
11117 |
x |
A |
-x+3/2,y-1/2,-z+1/4 |
5_645 |
3 |
1 |
11117 |
20.7 |
0.3 |
0.743 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[SO4]A:503 |
1 |
1 |
186 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
2 |
1 |
10557 |
17.3 |
-2.5 |
0.470 |
0 |
0 |
0 |
0.018 |
| 18 |
21 |
|
[SO4]B:1503 |
2 |
1 |
186 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
2 |
1 |
11117 |
11.8 |
-1.6 |
0.562 |
0 |
0 |
0 |
0.011 |
| 19 |
22 |
|
B |
1 |
1 |
10557 |
x |
B |
-y+1/2,x-1/2,z+1/4 |
3_545 |
3 |
3 |
10557 |
9.5 |
0.1 |
0.702 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[SO4]B:1503 |
1 |
1 |
186 |
◊ |
A |
-y+3/2,x-1/2,z+1/4 |
3_645 |
1 |
1 |
11117 |
5.0 |
-0.6 |
0.789 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[SO4]B:1502 |
1 |
1 |
187 |
◊ |
A |
-y+3/2,x-1/2,z+1/4 |
3_645 |
1 |
1 |
11117 |
0.7 |
-0.1 |
0.833 |
0 |
0 |
0 |
0.000 |
|