| ## |
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 |
|
A |
76 |
25 |
12160 |
◊ |
B |
-x+1/2,y-1/2,-z-1 |
3_544 |
81 |
26 |
12128 |
713.8 |
1.5 |
0.712 |
7 |
5 |
0 |
0.000 |
| 2 |
2 |
|
C |
50 |
5 |
2279 |
◊ |
B |
x,y,z |
1_555 |
70 |
18 |
12128 |
554.1 |
-11.4 |
0.538 |
5 |
0 |
0 |
0.504 |
3 |
|
D |
53 |
5 |
2288 |
◊ |
A |
x,y,z |
1_555 |
79 |
21 |
12160 |
536.3 |
-10.9 |
0.587 |
6 |
0 |
0 |
0.504 |
| Average: |
545.2 |
-11.1 |
0.562 |
6 |
0 |
0 |
0.504 |
| 3 |
4 |
|
A |
43 |
13 |
12160 |
◊ |
A |
-x+1,-y-1,z |
2_645 |
43 |
13 |
12160 |
446.5 |
1.2 |
0.706 |
10 |
0 |
0 |
0.000 |
| 4 |
5 |
|
D |
47 |
5 |
2288 |
◊ |
B |
x,y,z |
1_555 |
44 |
16 |
12128 |
394.7 |
-6.4 |
0.609 |
6 |
0 |
0 |
0.170 |
6 |
|
C |
42 |
5 |
2279 |
◊ |
A |
x,y,z |
1_555 |
41 |
14 |
12160 |
366.0 |
-5.9 |
0.543 |
4 |
0 |
0 |
0.170 |
| Average: |
380.4 |
-6.1 |
0.576 |
5 |
0 |
0 |
0.170 |
| 5 |
7 |
|
A |
45 |
12 |
12160 |
◊ |
B |
-x+1/2,y-1/2,-z-2 |
3_543 |
44 |
15 |
12128 |
382.3 |
3.2 |
0.764 |
10 |
1 |
0 |
0.000 |
| 6 |
8 |
|
D |
25 |
5 |
2288 |
◊ |
C |
x,y,z |
1_555 |
25 |
5 |
2279 |
226.7 |
-8.5 |
0.693 |
10 |
0 |
0 |
1.000 |
| 7 |
9 |
|
D |
20 |
4 |
2288 |
◊ |
B |
-x+1/2,y-1/2,-z-2 |
3_543 |
20 |
5 |
12128 |
184.0 |
-3.2 |
0.690 |
3 |
0 |
0 |
0.000 |
| 8 |
10 |
|
B |
11 |
4 |
12128 |
x |
B |
x,y-1,z |
1_545 |
16 |
4 |
12128 |
127.2 |
-1.8 |
0.242 |
0 |
0 |
0 |
0.000 |
11 |
|
A |
15 |
3 |
12160 |
x |
A |
x,y-1,z |
1_545 |
12 |
5 |
12160 |
126.5 |
-2.0 |
0.236 |
0 |
0 |
0 |
0.000 |
| Average: |
126.9 |
-1.9 |
0.239 |
0 |
0 |
0 |
0.000 |
| 9 |
12 |
|
B |
13 |
4 |
12128 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
12160 |
115.2 |
2.6 |
0.872 |
2 |
0 |
0 |
0.000 |
| 10 |
13 |
|
B |
17 |
6 |
12128 |
◊ |
B |
-x,-y,z |
2_555 |
18 |
6 |
12128 |
111.3 |
2.7 |
0.855 |
0 |
2 |
0 |
0.000 |
| 11 |
14 |
|
A |
12 |
7 |
12160 |
◊ |
A |
-x+1,-y,z |
2_655 |
12 |
7 |
12160 |
109.2 |
1.1 |
0.741 |
0 |
0 |
0 |
0.000 |
| 12 |
15 |
|
[SO4]B:502 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
12128 |
102.2 |
-13.0 |
0.652 |
1 |
0 |
0 |
0.496 |
| 13 |
16 |
|
[SO4]A:501 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
12160 |
101.9 |
-12.4 |
0.726 |
2 |
0 |
0 |
0.307 |
| 14 |
17 |
|
[SO4]A:503 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
12160 |
95.3 |
-15.1 |
0.758 |
3 |
0 |
0 |
0.380 |
| 15 |
18 |
|
B |
9 |
3 |
12128 |
◊ |
A |
-x+1/2,y-1/2,-z-1 |
3_544 |
10 |
3 |
12160 |
62.2 |
0.1 |
0.619 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
B |
2 |
1 |
12128 |
x |
B |
-x+1/2,y-1/2,-z-2 |
3_543 |
4 |
2 |
12128 |
34.8 |
-0.3 |
0.262 |
1 |
1 |
0 |
0.000 |
| 17 |
20 |
|
D |
5 |
3 |
2288 |
◊ |
C |
-x+1/2,y-1/2,-z-2 |
3_543 |
6 |
2 |
2279 |
34.2 |
-2.6 |
0.486 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
A |
5 |
2 |
12160 |
◊ |
C |
-x+1/2,y-1/2,-z-2 |
3_543 |
4 |
1 |
2279 |
20.4 |
-0.4 |
0.631 |
0 |
0 |
0 |
0.000 |
|