| ## |
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 |
|
D |
159 |
34 |
5539 |
◊ |
B |
x,y,z |
1_555 |
155 |
34 |
5491 |
1647.6 |
-23.1 |
0.205 |
20 |
4 |
0 |
0.353 |
| 2 |
2 |
|
E |
62 |
12 |
3908 |
◊ |
D |
-x-1/2,-y+1/2,z-1/2 |
6_454 |
57 |
14 |
5539 |
553.3 |
-5.9 |
0.421 |
8 |
0 |
0 |
0.204 |
3 |
|
B |
56 |
13 |
5491 |
◊ |
C |
x,y,z |
1_555 |
61 |
13 |
4096 |
552.6 |
-6.3 |
0.403 |
6 |
0 |
0 |
0.204 |
| Average: |
553.0 |
-6.1 |
0.412 |
7 |
0 |
0 |
0.204 |
| 3 |
4 |
|
C |
49 |
15 |
4096 |
◊ |
A |
x,y,z |
1_555 |
61 |
14 |
3907 |
533.9 |
-4.8 |
0.362 |
7 |
0 |
0 |
0.019 |
| 4 |
5 |
|
A |
36 |
8 |
3907 |
◊ |
B |
-x,-y,z-1/2 |
2_554 |
30 |
5 |
5491 |
305.7 |
-4.6 |
0.268 |
3 |
0 |
0 |
0.010 |
6 |
|
D |
24 |
5 |
5539 |
◊ |
E |
x,y,z |
1_555 |
28 |
8 |
3908 |
273.3 |
-4.8 |
0.166 |
4 |
0 |
0 |
0.010 |
| Average: |
289.5 |
-4.7 |
0.217 |
4 |
0 |
0 |
0.010 |
| 5 |
7 |
|
B |
26 |
8 |
5491 |
◊ |
E |
x,y,z |
1_555 |
28 |
9 |
3908 |
299.2 |
-1.5 |
0.509 |
3 |
0 |
0 |
0.004 |
8 |
|
A |
29 |
9 |
3907 |
◊ |
D |
-x,-y,z-1/2 |
2_554 |
27 |
8 |
5539 |
292.2 |
-1.4 |
0.523 |
3 |
0 |
0 |
0.004 |
| Average: |
295.7 |
-1.5 |
0.516 |
3 |
0 |
0 |
0.004 |
| 6 |
9 |
|
E |
16 |
7 |
3908 |
◊ |
B |
-x-1/2,-y+1/2,z-1/2 |
6_454 |
19 |
4 |
5491 |
180.0 |
-1.0 |
0.525 |
2 |
0 |
0 |
0.024 |
10 |
|
D |
20 |
5 |
5539 |
◊ |
C |
x,y,z |
1_555 |
16 |
8 |
4096 |
176.5 |
-1.4 |
0.466 |
1 |
0 |
0 |
0.024 |
| Average: |
178.2 |
-1.2 |
0.495 |
2 |
0 |
0 |
0.024 |
| 7 |
11 |
|
D |
16 |
5 |
5539 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
17 |
7 |
3907 |
139.8 |
1.5 |
0.787 |
6 |
5 |
0 |
0.000 |
| 8 |
12 |
|
[SO4]B:101 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
5491 |
85.2 |
-12.4 |
0.827 |
6 |
0 |
0 |
0.258 |
| 9 |
13 |
|
[SO4]D:101 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
5539 |
84.3 |
-12.3 |
0.826 |
5 |
0 |
0 |
0.316 |
| 10 |
14 |
|
[SO4]C:102 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
15 |
4 |
4096 |
81.4 |
-11.6 |
0.797 |
2 |
0 |
0 |
0.213 |
| 11 |
15 |
|
[SO4]E:101 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
10 |
7 |
3908 |
73.8 |
-9.7 |
0.774 |
2 |
0 |
0 |
0.230 |
| 12 |
16 |
|
[SO4]C:101 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
4096 |
72.1 |
-9.3 |
0.804 |
2 |
0 |
0 |
0.174 |
| 13 |
17 |
|
B |
9 |
4 |
5491 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
7 |
1 |
3907 |
71.7 |
-0.3 |
0.616 |
0 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[SO4]A:101 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
3907 |
69.9 |
-9.1 |
0.786 |
2 |
0 |
0 |
0.100 |
| 15 |
19 |
|
[SO4]B:102 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
5491 |
53.1 |
-6.7 |
0.882 |
2 |
0 |
0 |
0.129 |
| 16 |
20 |
|
[SO4]D:102 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
5539 |
51.3 |
-6.3 |
0.887 |
2 |
0 |
0 |
0.157 |
| 17 |
21 |
|
C |
3 |
1 |
4096 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
7 |
2 |
3907 |
46.5 |
-1.3 |
0.119 |
0 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[SO4]B:101 |
3 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
5539 |
36.6 |
-3.1 |
0.969 |
2 |
0 |
0 |
0.043 |
| 19 |
23 |
|
[SO4]D:102 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
5491 |
35.4 |
-4.7 |
0.678 |
0 |
0 |
0 |
0.051 |
| 20 |
24 |
|
[SO4]D:101 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
5491 |
35.4 |
-2.6 |
0.962 |
1 |
0 |
0 |
0.033 |
| 21 |
25 |
|
E |
6 |
1 |
3908 |
◊ |
[SO4]D:101 |
-x-1/2,-y+1/2,z-1/2 |
6_454 |
3 |
1 |
186 |
35.0 |
-3.9 |
0.894 |
1 |
0 |
0 |
0.094 |
| 22 |
26 |
|
E |
4 |
2 |
3908 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
2 |
1 |
3907 |
32.0 |
1.5 |
0.895 |
1 |
1 |
0 |
0.000 |
| 23 |
27 |
|
[SO4]B:101 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
6 |
1 |
4096 |
31.9 |
-3.8 |
0.893 |
1 |
0 |
0 |
0.072 |
| 24 |
28 |
|
[SO4]B:102 |
3 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
5539 |
27.9 |
-3.6 |
0.573 |
0 |
0 |
0 |
0.039 |
| 25 |
29 |
|
[SO4]A:101 |
1 |
1 |
185 |
◊ |
B |
-x,y,-z-1/2 |
3_554 |
1 |
1 |
5491 |
8.0 |
-0.7 |
0.850 |
0 |
0 |
0 |
0.000 |
| 26 |
30 |
|
[SO4]A:101 |
1 |
1 |
185 |
◊ |
D |
-x,-y,z-1/2 |
2_554 |
2 |
2 |
5539 |
3.1 |
-0.4 |
0.816 |
0 |
0 |
0 |
0.000 |
| 27 |
31 |
|
E |
1 |
1 |
3908 |
◊ |
[SO4]B:102 |
-x-1/2,-y+1/2,z-1/2 |
6_454 |
1 |
1 |
186 |
1.7 |
-0.2 |
0.848 |
0 |
0 |
0 |
0.001 |
| 28 |
32 |
|
[SO4]E:101 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
5491 |
1.6 |
-0.2 |
0.839 |
0 |
0 |
0 |
0.000 |
|