| ## |
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 |
|
G |
59 |
20 |
9258 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
58 |
17 |
8701 |
552.0 |
-3.4 |
0.414 |
9 |
3 |
0 |
0.183 |
2 |
|
E |
56 |
18 |
8820 |
◊ |
C |
x,y,z |
1_555 |
54 |
15 |
8861 |
517.8 |
-4.0 |
0.340 |
8 |
2 |
0 |
0.183 |
3 |
|
G |
49 |
13 |
9258 |
◊ |
C |
-x+1/2,-y+2,z-1/2 |
2_574 |
48 |
16 |
8861 |
487.9 |
-3.9 |
0.338 |
8 |
1 |
0 |
0.183 |
| Average: |
519.2 |
-3.8 |
0.364 |
8 |
2 |
0 |
0.183 |
| 2 |
4 |
|
D |
56 |
14 |
4742 |
◊ |
C |
x,y,z |
1_555 |
69 |
18 |
8861 |
548.1 |
0.0 |
0.528 |
11 |
4 |
0 |
0.000 |
5 |
|
B |
56 |
15 |
4753 |
◊ |
A |
x,y,z |
1_555 |
67 |
16 |
8701 |
541.0 |
0.1 |
0.526 |
10 |
4 |
0 |
0.000 |
6 |
|
F |
56 |
15 |
4782 |
◊ |
E |
x,y,z |
1_555 |
64 |
16 |
8820 |
536.2 |
0.2 |
0.521 |
9 |
4 |
0 |
0.000 |
| Average: |
541.8 |
0.1 |
0.525 |
10 |
4 |
0 |
0.000 |
| 3 |
7 |
|
H |
49 |
11 |
3964 |
◊ |
G |
x,y,z |
1_555 |
65 |
17 |
9258 |
497.2 |
-0.6 |
0.588 |
9 |
4 |
0 |
0.000 |
| 4 |
8 |
|
A |
49 |
16 |
8701 |
◊ |
E |
x-1/2,-y+5/2,-z |
4_475 |
48 |
13 |
8820 |
495.2 |
-3.1 |
0.368 |
8 |
1 |
0 |
0.000 |
| 5 |
9 |
|
C |
52 |
15 |
8861 |
◊ |
A |
x,y,z |
1_555 |
58 |
17 |
8701 |
481.2 |
0.4 |
0.669 |
0 |
2 |
0 |
0.003 |
10 |
|
G |
45 |
14 |
9258 |
◊ |
E |
x-1/2,-y+3/2,-z |
4_465 |
52 |
16 |
8820 |
461.5 |
0.7 |
0.697 |
1 |
3 |
0 |
0.003 |
| Average: |
471.3 |
0.5 |
0.683 |
1 |
3 |
0 |
0.003 |
| 6 |
11 |
|
G |
41 |
13 |
9258 |
◊ |
F |
x-1,y-1,z |
1_445 |
38 |
10 |
4782 |
400.3 |
-4.8 |
0.175 |
3 |
0 |
0 |
0.000 |
| 7 |
12 |
|
G |
41 |
14 |
9258 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
45 |
14 |
4742 |
363.5 |
1.1 |
0.612 |
3 |
3 |
0 |
0.000 |
13 |
|
B |
44 |
16 |
4753 |
◊ |
E |
x-1,y,z |
1_455 |
38 |
13 |
8820 |
329.7 |
1.5 |
0.629 |
2 |
2 |
0 |
0.000 |
| Average: |
346.6 |
1.3 |
0.621 |
3 |
3 |
0 |
0.000 |
| 8 |
14 |
|
G |
39 |
10 |
9258 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
38 |
8 |
8861 |
362.6 |
-3.7 |
0.274 |
4 |
2 |
0 |
0.000 |
15 |
|
E |
37 |
9 |
8820 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
8701 |
304.1 |
-1.9 |
0.294 |
4 |
2 |
0 |
0.000 |
16 |
|
E |
23 |
6 |
8820 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
34 |
9 |
8861 |
268.6 |
-2.0 |
0.273 |
3 |
2 |
0 |
0.000 |
17 |
|
G |
20 |
5 |
9258 |
◊ |
A |
x,y-1,z |
1_545 |
31 |
8 |
8701 |
262.4 |
-1.9 |
0.263 |
4 |
2 |
0 |
0.000 |
| Average: |
299.4 |
-2.4 |
0.276 |
4 |
2 |
0 |
0.000 |
| 9 |
18 |
|
B |
27 |
7 |
4753 |
◊ |
F |
x-1,y,z |
1_455 |
30 |
11 |
4782 |
264.0 |
0.9 |
0.516 |
4 |
1 |
0 |
0.000 |
| 10 |
19 |
|
H |
26 |
9 |
3964 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
27 |
7 |
4742 |
246.9 |
0.8 |
0.619 |
2 |
1 |
0 |
0.000 |
| 11 |
20 |
|
[SO4]C:201 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
8861 |
92.2 |
-10.4 |
0.952 |
4 |
0 |
0 |
0.230 |
| 12 |
21 |
|
[SO4]G:201 |
5 |
1 |
183 |
f |
G |
x,y,z |
1_555 |
14 |
5 |
9258 |
89.6 |
-11.3 |
0.903 |
3 |
0 |
0 |
0.197 |
| 13 |
22 |
|
[SO4]A:201 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
8861 |
82.6 |
-8.7 |
0.843 |
2 |
0 |
0 |
0.181 |
| 14 |
23 |
|
[SO4]G:203 |
5 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
11 |
5 |
9258 |
80.9 |
-8.7 |
0.765 |
2 |
0 |
0 |
0.149 |
| 15 |
24 |
|
[SO4]G:203 |
5 |
1 |
184 |
f |
E |
x-1/2,-y+3/2,-z |
4_465 |
12 |
4 |
8820 |
80.4 |
-12.4 |
0.667 |
5 |
0 |
0 |
0.228 |
| 16 |
25 |
|
[SO4]A:201 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
8701 |
75.7 |
-11.4 |
0.762 |
4 |
0 |
0 |
0.250 |
| 17 |
26 |
|
[SO4]A:202 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
8861 |
67.9 |
-6.8 |
0.905 |
2 |
0 |
0 |
0.061 |
| 18 |
27 |
|
[SO4]C:202 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
8701 |
67.8 |
-6.8 |
0.931 |
2 |
0 |
0 |
0.060 |
| 19 |
28 |
|
[SO4]A:202 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
11 |
3 |
8820 |
67.6 |
-8.5 |
0.886 |
2 |
0 |
0 |
0.178 |
29 |
|
[SO4]G:202 |
5 |
1 |
185 |
f |
C |
-x+1/2,-y+2,z-1/2 |
2_574 |
11 |
3 |
8861 |
66.3 |
-8.5 |
0.864 |
2 |
0 |
0 |
0.178 |
| Average: |
67.0 |
-8.5 |
0.875 |
2 |
0 |
0 |
0.178 |
| 20 |
30 |
|
[SO4]G:202 |
5 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
10 |
4 |
9258 |
67.2 |
-6.8 |
0.905 |
2 |
0 |
0 |
0.061 |
| 21 |
31 |
|
[SO4]G:201 |
4 |
1 |
183 |
◊ |
E |
x-1/2,-y+3/2,-z |
4_465 |
9 |
5 |
8820 |
66.5 |
-7.6 |
0.829 |
2 |
0 |
0 |
0.133 |
| 22 |
32 |
|
[SO4]C:201 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
8701 |
66.0 |
-7.7 |
0.845 |
2 |
0 |
0 |
0.162 |
| 23 |
33 |
|
G |
12 |
3 |
9258 |
f |
[SO4]C:202 |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
1 |
185 |
65.9 |
-8.4 |
0.887 |
2 |
0 |
0 |
0.145 |
| 24 |
34 |
|
[SO4]C:202 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
8861 |
41.1 |
-3.3 |
0.967 |
2 |
0 |
0 |
0.000 |
| 25 |
35 |
|
[SO4]G:202 |
4 |
1 |
185 |
◊ |
E |
x-1/2,-y+3/2,-z |
4_465 |
2 |
1 |
8820 |
40.3 |
-3.3 |
0.976 |
2 |
0 |
0 |
0.000 |
| 26 |
36 |
|
[SO4]A:202 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
8701 |
39.7 |
-3.2 |
0.966 |
4 |
0 |
0 |
0.000 |
| 27 |
37 |
|
H |
3 |
1 |
3964 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
8701 |
34.8 |
1.0 |
0.824 |
1 |
1 |
0 |
0.000 |
| 28 |
38 |
|
E |
3 |
2 |
8820 |
◊ |
F |
x-1/2,-y+5/2,-z |
4_475 |
2 |
1 |
4782 |
17.2 |
0.4 |
0.726 |
0 |
0 |
0 |
0.000 |
| 29 |
39 |
|
D |
2 |
2 |
4742 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
2 |
8701 |
9.9 |
-0.2 |
0.428 |
0 |
0 |
0 |
0.000 |
| 30 |
40 |
|
C |
1 |
1 |
8861 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
4782 |
7.9 |
0.4 |
0.849 |
0 |
0 |
0 |
0.000 |
| 31 |
41 |
|
H |
2 |
1 |
3964 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
4753 |
7.0 |
-0.1 |
0.501 |
0 |
0 |
0 |
0.000 |
| 32 |
42 |
|
B |
2 |
2 |
4753 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
2 |
8861 |
5.8 |
-0.0 |
0.555 |
0 |
0 |
0 |
0.000 |
|