| ## |
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 |
256 |
62 |
5358 |
◊ |
A |
x,y,z |
1_555 |
233 |
47 |
5333 |
2327.6 |
-33.9 |
0.195 |
39 |
2 |
0 |
0.569 |
2 |
|
D |
249 |
60 |
5294 |
◊ |
C |
x,y,z |
1_555 |
231 |
48 |
5312 |
2287.3 |
-34.6 |
0.194 |
37 |
2 |
0 |
0.569 |
| Average: |
2307.5 |
-34.2 |
0.195 |
38 |
2 |
0 |
0.569 |
| 2 |
3 |
|
C |
44 |
14 |
5312 |
◊ |
A |
x,y,z |
1_555 |
42 |
14 |
5333 |
402.4 |
-0.8 |
0.861 |
6 |
0 |
0 |
0.000 |
| 3 |
4 |
|
B |
33 |
13 |
5358 |
◊ |
A |
-y+3/2,x+1/2,z-1/4 |
3_654 |
37 |
14 |
5333 |
304.6 |
-3.4 |
0.556 |
3 |
0 |
0 |
0.000 |
| 4 |
5 |
|
D |
36 |
15 |
5294 |
◊ |
B |
x-1/2,-y+3/2,-z+1/4 |
6_465 |
23 |
8 |
5358 |
259.7 |
-0.2 |
0.722 |
5 |
0 |
0 |
0.046 |
| 5 |
6 |
|
D |
16 |
5 |
5294 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
5358 |
132.8 |
-0.5 |
0.617 |
1 |
0 |
0 |
0.000 |
| 6 |
7 |
|
C |
10 |
2 |
5312 |
◊ |
B |
x-1/2,-y+3/2,-z+1/4 |
6_465 |
16 |
4 |
5358 |
128.9 |
1.1 |
0.841 |
3 |
1 |
0 |
0.002 |
| 7 |
8 |
|
B |
14 |
6 |
5358 |
◊ |
C |
-y+3/2,x+1/2,z-1/4 |
3_654 |
14 |
5 |
5312 |
111.1 |
-0.7 |
0.631 |
1 |
0 |
0 |
0.006 |
| 8 |
9 |
|
D |
11 |
4 |
5294 |
◊ |
A |
x-1/2,-y+3/2,-z+1/4 |
6_465 |
10 |
2 |
5333 |
87.1 |
-0.0 |
0.729 |
3 |
2 |
0 |
0.008 |
| 9 |
10 |
|
C |
13 |
5 |
5312 |
◊ |
C |
y,x,-z |
7_555 |
13 |
5 |
5312 |
82.9 |
-0.6 |
0.709 |
0 |
0 |
0 |
0.000 |
| 10 |
11 |
|
B |
12 |
2 |
5358 |
◊ |
D |
-y+3/2,x+1/2,z-1/4 |
3_654 |
7 |
3 |
5294 |
82.5 |
-1.5 |
0.354 |
0 |
0 |
0 |
0.024 |
| 11 |
12 |
|
[SO4]D:601 |
4 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
5294 |
77.3 |
-11.4 |
0.785 |
3 |
0 |
0 |
0.238 |
| 12 |
13 |
|
[SO4]C:603 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
5312 |
73.1 |
-10.1 |
0.870 |
2 |
0 |
0 |
0.122 |
| 13 |
14 |
|
[SO4]A:602 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
5333 |
73.0 |
-10.1 |
0.869 |
2 |
0 |
0 |
0.117 |
| 14 |
15 |
|
[SO4]B:604 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
5358 |
70.4 |
-8.4 |
0.913 |
3 |
0 |
0 |
0.182 |
| 15 |
16 |
|
[SO4]B:605 |
4 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
5358 |
70.1 |
-9.6 |
0.862 |
4 |
0 |
0 |
0.211 |
| 16 |
17 |
|
[SO4]B:606 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
5358 |
65.4 |
-8.4 |
0.877 |
2 |
0 |
0 |
0.174 |
| 17 |
18 |
|
[SO4]C:607 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
5312 |
58.5 |
-6.9 |
0.879 |
2 |
0 |
0 |
0.087 |
| 18 |
19 |
|
B |
8 |
2 |
5358 |
◊ |
B |
y,x,-z |
7_555 |
7 |
2 |
5358 |
51.6 |
-1.1 |
0.393 |
0 |
0 |
0 |
0.009 |
| 19 |
20 |
|
[SO4]C:607 |
5 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
5294 |
48.3 |
-6.2 |
0.807 |
1 |
0 |
0 |
0.073 |
| 20 |
21 |
|
D |
6 |
3 |
5294 |
◊ |
D |
-y+1,-x+1,-z+1/2 |
8_665 |
6 |
3 |
5294 |
45.6 |
0.2 |
0.715 |
0 |
0 |
0 |
0.000 |
| 21 |
22 |
|
A |
4 |
1 |
5333 |
x |
A |
-y+3/2,x+1/2,z-1/4 |
3_654 |
3 |
1 |
5333 |
42.5 |
0.9 |
0.644 |
1 |
0 |
0 |
0.000 |
| 22 |
23 |
|
D |
4 |
2 |
5294 |
◊ |
[SO4]B:606 |
x-1/2,-y+3/2,-z+1/4 |
6_465 |
4 |
1 |
187 |
39.9 |
-4.7 |
0.734 |
1 |
0 |
0 |
0.096 |
| 23 |
24 |
|
[SO4]D:601 |
4 |
1 |
188 |
◊ |
D |
-y+1,-x+1,-z+1/2 |
8_665 |
5 |
1 |
5294 |
36.8 |
-4.7 |
0.568 |
0 |
0 |
0 |
0.074 |
| 24 |
25 |
|
D |
4 |
2 |
5294 |
◊ |
C |
y,x,-z |
7_555 |
2 |
1 |
5312 |
29.9 |
-0.0 |
0.455 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
A |
5 |
2 |
5333 |
◊ |
B |
-y+3/2,x+1/2,z-1/4 |
3_654 |
2 |
1 |
5358 |
28.4 |
0.1 |
0.713 |
0 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[SO4]B:604 |
3 |
1 |
188 |
◊ |
D |
-y+3/2,x+1/2,z-1/4 |
3_654 |
2 |
1 |
5294 |
28.0 |
-3.5 |
0.817 |
0 |
0 |
0 |
0.054 |
| 27 |
28 |
|
D |
4 |
2 |
5294 |
◊ |
[SO4]B:604 |
x-1/2,-y+3/2,-z+1/4 |
6_465 |
4 |
1 |
188 |
27.3 |
-2.9 |
0.829 |
0 |
0 |
0 |
0.053 |
| 28 |
29 |
|
B |
3 |
2 |
5358 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
5312 |
24.2 |
-0.2 |
0.469 |
0 |
0 |
0 |
0.000 |
30 |
|
D |
4 |
2 |
5294 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
5333 |
18.0 |
-0.3 |
0.530 |
0 |
0 |
0 |
0.000 |
| Average: |
21.1 |
-0.3 |
0.499 |
0 |
0 |
0 |
0.000 |
| 29 |
31 |
|
B |
3 |
2 |
5358 |
x |
B |
-y+3/2,x+1/2,z-1/4 |
3_654 |
5 |
3 |
5358 |
22.5 |
0.2 |
0.698 |
0 |
0 |
0 |
0.000 |
| 30 |
32 |
|
[SO4]A:602 |
1 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
5312 |
13.9 |
-1.9 |
0.443 |
0 |
0 |
0 |
0.000 |
| 31 |
33 |
|
[SO4]C:603 |
1 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
5333 |
13.7 |
-1.9 |
0.436 |
0 |
0 |
0 |
0.000 |
| 32 |
34 |
|
[SO4]B:605 |
2 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
5333 |
7.8 |
-0.8 |
0.848 |
0 |
0 |
0 |
0.009 |
| 33 |
35 |
|
[SO4]C:603 |
1 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
5294 |
5.6 |
-0.7 |
0.697 |
0 |
0 |
0 |
0.008 |
| 34 |
36 |
|
C |
1 |
1 |
5312 |
◊ |
A |
x-1/2,-y+3/2,-z+1/4 |
6_465 |
3 |
2 |
5333 |
2.8 |
0.0 |
0.698 |
0 |
0 |
0 |
0.000 |
| 35 |
37 |
|
[SO4]B:604 |
1 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
5333 |
1.7 |
-0.2 |
0.724 |
0 |
0 |
0 |
0.002 |
|