| ## |
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 |
|
F |
39 |
10 |
1270 |
◊ |
E |
x,y,z |
1_555 |
59 |
15 |
3725 |
459.6 |
-7.6 |
0.530 |
5 |
0 |
0 |
0.347 |
2 |
|
H |
43 |
10 |
1272 |
◊ |
G |
x,y,z |
1_555 |
57 |
14 |
3733 |
459.1 |
-7.3 |
0.592 |
5 |
0 |
0 |
0.347 |
3 |
|
B |
43 |
10 |
1270 |
◊ |
A |
x,y,z |
1_555 |
61 |
15 |
3728 |
457.7 |
-7.8 |
0.607 |
5 |
0 |
0 |
0.347 |
4 |
|
D |
36 |
9 |
1270 |
◊ |
C |
x,y,z |
1_555 |
59 |
14 |
3777 |
446.1 |
-7.7 |
0.445 |
4 |
0 |
0 |
0.347 |
| Average: |
455.6 |
-7.6 |
0.543 |
5 |
0 |
0 |
0.347 |
| 2 |
5 |
|
A |
42 |
13 |
3728 |
◊ |
G |
-x+1,y-1/2,-z+1/2 |
3_645 |
37 |
12 |
3733 |
364.3 |
1.9 |
0.863 |
5 |
0 |
0 |
0.000 |
| 3 |
6 |
|
C |
41 |
12 |
3777 |
◊ |
H |
x-1,y,z |
1_455 |
30 |
6 |
1272 |
318.2 |
-5.0 |
0.577 |
4 |
0 |
0 |
0.000 |
7 |
|
F |
30 |
6 |
1270 |
◊ |
G |
x,y,z |
1_555 |
38 |
11 |
3733 |
312.2 |
-5.6 |
0.500 |
3 |
0 |
0 |
0.000 |
| Average: |
315.2 |
-5.3 |
0.539 |
4 |
0 |
0 |
0.000 |
| 4 |
8 |
|
D |
33 |
7 |
1270 |
◊ |
A |
x,y,z |
1_555 |
35 |
11 |
3728 |
311.3 |
-6.1 |
0.427 |
3 |
0 |
0 |
0.000 |
9 |
|
B |
28 |
6 |
1270 |
◊ |
E |
x,y,z |
1_555 |
36 |
12 |
3725 |
307.0 |
-5.4 |
0.507 |
3 |
0 |
0 |
0.000 |
| Average: |
309.1 |
-5.7 |
0.467 |
3 |
0 |
0 |
0.000 |
| 5 |
10 |
|
C |
36 |
11 |
3777 |
◊ |
E |
-x,y-1/2,-z+1/2 |
3_545 |
27 |
10 |
3725 |
277.7 |
-2.7 |
0.405 |
1 |
0 |
0 |
0.000 |
| 6 |
11 |
|
C |
19 |
8 |
3777 |
◊ |
G |
x-1,y,z |
1_455 |
26 |
10 |
3733 |
205.2 |
1.1 |
0.791 |
3 |
0 |
0 |
0.000 |
| 7 |
12 |
|
E |
30 |
9 |
3725 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
26 |
8 |
3777 |
200.2 |
1.4 |
0.822 |
2 |
0 |
0 |
0.000 |
| 8 |
13 |
|
E |
18 |
8 |
3725 |
◊ |
A |
x,y,z |
1_555 |
25 |
9 |
3728 |
186.4 |
-1.5 |
0.487 |
1 |
0 |
0 |
0.000 |
14 |
|
C |
24 |
8 |
3777 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
3728 |
179.8 |
-1.5 |
0.420 |
1 |
0 |
0 |
0.000 |
15 |
|
G |
19 |
9 |
3733 |
◊ |
E |
x,y,z |
1_555 |
22 |
8 |
3725 |
154.9 |
-1.0 |
0.531 |
1 |
0 |
0 |
0.000 |
| Average: |
173.7 |
-1.3 |
0.479 |
1 |
0 |
0 |
0.000 |
| 9 |
16 |
|
C |
23 |
8 |
3777 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
19 |
6 |
3733 |
151.4 |
-0.6 |
0.578 |
0 |
0 |
0 |
0.000 |
| 10 |
17 |
|
A |
10 |
5 |
3728 |
◊ |
G |
-x+1/2,-y+1,z-1/2 |
2_564 |
8 |
5 |
3733 |
76.0 |
-1.1 |
0.374 |
0 |
0 |
0 |
0.000 |
| 11 |
18 |
|
[SO4]E:3003 |
5 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
10 |
3 |
3725 |
71.2 |
-10.6 |
0.721 |
4 |
0 |
0 |
0.382 |
| 12 |
19 |
|
[SO4]G:3002 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
10 |
3 |
3733 |
70.5 |
-10.9 |
0.698 |
4 |
0 |
0 |
0.396 |
| 13 |
20 |
|
[SO4]C:3001 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
3777 |
69.9 |
-10.4 |
0.700 |
3 |
0 |
0 |
0.375 |
| 14 |
21 |
|
[SO4]A:3000 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
3728 |
66.8 |
-10.0 |
0.719 |
3 |
0 |
0 |
0.394 |
| 15 |
22 |
|
A |
8 |
3 |
3728 |
◊ |
C |
-x-1/2,-y+1,z-1/2 |
2_464 |
7 |
2 |
3777 |
58.1 |
-0.7 |
0.466 |
0 |
0 |
0 |
0.000 |
| 16 |
23 |
|
A |
8 |
3 |
3728 |
c |
[ACE]H:0 |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
172 |
58.0 |
0.2 |
0.815 |
0 |
0 |
0 |
0.000 |
| 17 |
24 |
|
E |
7 |
2 |
3725 |
◊ |
C |
-x-1/2,-y+1,z-1/2 |
2_464 |
6 |
1 |
3777 |
54.8 |
0.2 |
0.682 |
1 |
0 |
0 |
0.000 |
| 18 |
25 |
|
[ACE]B:0 |
3 |
1 |
171 |
◊ |
G |
-x+1,y-1/2,-z+1/2 |
3_645 |
8 |
6 |
3733 |
51.4 |
-0.6 |
0.750 |
0 |
0 |
0 |
0.000 |
| 19 |
26 |
|
[ACE]F:0 |
3 |
1 |
172 |
cf |
F |
x,y,z |
1_555 |
5 |
2 |
1270 |
49.6 |
-0.3 |
0.896 |
0 |
0 |
0 |
0.100 |
27 |
|
[ACE]H:0 |
3 |
1 |
172 |
cf |
H |
x,y,z |
1_555 |
6 |
2 |
1272 |
41.6 |
-0.2 |
0.898 |
0 |
0 |
0 |
0.100 |
| Average: |
45.6 |
-0.3 |
0.897 |
0 |
0 |
0 |
0.100 |
| 20 |
28 |
|
[ACE]D:0 |
3 |
1 |
171 |
cf |
D |
x,y,z |
1_555 |
5 |
2 |
1270 |
49.5 |
-0.3 |
0.894 |
0 |
0 |
0 |
0.100 |
| 21 |
29 |
|
[ACE]D:0 |
3 |
1 |
171 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
3777 |
49.1 |
-0.5 |
0.672 |
1 |
0 |
0 |
0.030 |
| 22 |
30 |
|
[ACE]B:0 |
3 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
3728 |
47.7 |
0.2 |
0.855 |
0 |
0 |
0 |
0.000 |
| 23 |
31 |
|
A |
6 |
2 |
3728 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
2 |
3733 |
47.4 |
0.9 |
0.768 |
1 |
0 |
0 |
0.000 |
| 24 |
32 |
|
[ACE]B:0 |
3 |
1 |
171 |
cf |
B |
x,y,z |
1_555 |
8 |
2 |
1270 |
46.9 |
-0.2 |
0.905 |
1 |
0 |
0 |
0.100 |
| 25 |
33 |
|
[ACE]F:0 |
3 |
1 |
172 |
◊ |
E |
x,y,z |
1_555 |
10 |
4 |
3725 |
45.3 |
-0.5 |
0.691 |
1 |
0 |
0 |
0.029 |
34 |
|
[ACE]H:0 |
3 |
1 |
172 |
◊ |
G |
x,y,z |
1_555 |
8 |
4 |
3733 |
41.7 |
-0.3 |
0.740 |
1 |
0 |
0 |
0.029 |
| Average: |
43.5 |
-0.4 |
0.715 |
1 |
0 |
0 |
0.029 |
| 26 |
35 |
|
D |
5 |
1 |
1270 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
4 |
3733 |
37.9 |
-0.8 |
0.573 |
0 |
0 |
0 |
0.000 |
| 27 |
36 |
|
[SO4]E:3003 |
4 |
1 |
183 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
1270 |
36.6 |
-4.5 |
0.929 |
1 |
0 |
0 |
0.153 |
| 28 |
37 |
|
[SO4]A:3000 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
1270 |
35.7 |
-4.9 |
0.894 |
1 |
0 |
0 |
0.185 |
| 29 |
38 |
|
[SO4]G:3002 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
1272 |
35.5 |
-4.8 |
0.921 |
1 |
0 |
0 |
0.165 |
| 30 |
39 |
|
[SO4]C:3001 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
1270 |
34.9 |
-4.2 |
0.914 |
1 |
0 |
0 |
0.149 |
| 31 |
40 |
|
[ACE]D:0 |
2 |
1 |
171 |
◊ |
[SO4]C:3001 |
x,y,z |
1_555 |
3 |
1 |
185 |
32.7 |
-4.2 |
0.939 |
0 |
0 |
0 |
0.133 |
| 32 |
41 |
|
[ACE]F:0 |
2 |
1 |
172 |
◊ |
[SO4]E:3003 |
x,y,z |
1_555 |
4 |
1 |
183 |
31.9 |
-3.9 |
0.942 |
0 |
0 |
0 |
0.121 |
| 33 |
42 |
|
[SO4]A:3000 |
4 |
1 |
185 |
◊ |
G |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
2 |
3733 |
27.5 |
-2.8 |
0.864 |
0 |
0 |
0 |
0.000 |
| 34 |
43 |
|
E |
3 |
2 |
3725 |
◊ |
[ACE]D:0 |
-x+1/2,-y+1,z-1/2 |
2_564 |
2 |
1 |
171 |
26.0 |
0.3 |
0.909 |
0 |
0 |
0 |
0.000 |
| 35 |
44 |
|
[ACE]H:0 |
2 |
1 |
172 |
◊ |
[SO4]G:3002 |
x,y,z |
1_555 |
4 |
1 |
185 |
24.9 |
-3.5 |
0.942 |
0 |
0 |
0 |
0.110 |
| 36 |
45 |
|
A |
3 |
1 |
3728 |
◊ |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
1272 |
21.2 |
0.7 |
0.895 |
0 |
0 |
0 |
0.000 |
| 37 |
46 |
|
A |
1 |
1 |
3728 |
◊ |
[SO4]G:3002 |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
185 |
20.1 |
-2.0 |
0.948 |
0 |
0 |
0 |
0.000 |
| 38 |
47 |
|
B |
3 |
1 |
1270 |
◊ |
G |
-x+1,y-1/2,-z+1/2 |
3_645 |
6 |
4 |
3733 |
16.2 |
0.2 |
0.779 |
0 |
0 |
0 |
0.000 |
| 39 |
48 |
|
[ACE]F:0 |
2 |
1 |
172 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
2 |
3777 |
11.5 |
-0.1 |
0.756 |
0 |
0 |
0 |
0.000 |
| 40 |
49 |
|
[ACE]B:0 |
2 |
1 |
171 |
◊ |
[SO4]A:3000 |
x,y,z |
1_555 |
3 |
1 |
185 |
11.4 |
-1.6 |
0.939 |
0 |
0 |
0 |
0.056 |
| 41 |
50 |
|
D |
2 |
1 |
1270 |
◊ |
G |
x-1,y,z |
1_455 |
1 |
1 |
3733 |
8.8 |
-0.0 |
0.705 |
0 |
0 |
0 |
0.000 |
| 42 |
51 |
|
B |
2 |
1 |
1270 |
◊ |
C |
-x-1/2,-y+1,z-1/2 |
2_464 |
1 |
1 |
3777 |
8.6 |
-0.2 |
0.445 |
0 |
0 |
0 |
0.000 |
| 43 |
52 |
|
E |
1 |
1 |
3725 |
◊ |
[SO4]C:3001 |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
1 |
185 |
8.0 |
-0.6 |
0.943 |
0 |
0 |
0 |
0.000 |
| 44 |
53 |
|
C |
1 |
1 |
3777 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
1270 |
3.8 |
-0.1 |
0.510 |
0 |
0 |
0 |
0.000 |
| 45 |
54 |
|
[SO4]E:3003 |
1 |
1 |
183 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
3777 |
3.0 |
-0.3 |
0.894 |
0 |
0 |
0 |
0.000 |
|