| ## |
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 |
88 |
18 |
5815 |
◊ |
B |
-y,-x,-z-1 |
8_554 |
88 |
18 |
5815 |
847.9 |
-8.6 |
0.657 |
22 |
0 |
0 |
0.547 |
2 |
|
C |
92 |
19 |
5558 |
◊ |
A |
x,y,z |
1_555 |
90 |
18 |
5557 |
837.1 |
-7.6 |
0.586 |
25 |
0 |
0 |
0.547 |
| Average: |
842.5 |
-8.1 |
0.622 |
24 |
0 |
0 |
0.547 |
| 2 |
3 |
|
B |
55 |
12 |
5815 |
◊ |
A |
x,y,z |
1_555 |
57 |
19 |
5557 |
530.3 |
-6.2 |
0.520 |
5 |
0 |
0 |
0.210 |
| 3 |
4 |
|
C |
34 |
8 |
5558 |
◊ |
B |
x-1/2,-y-1/2,-z-1/2 |
6_444 |
41 |
14 |
5815 |
314.4 |
0.9 |
0.873 |
4 |
3 |
0 |
0.041 |
5 |
|
C |
34 |
11 |
5558 |
◊ |
A |
y,x,-z |
7_555 |
34 |
8 |
5557 |
293.3 |
1.0 |
0.854 |
3 |
3 |
0 |
0.041 |
6 |
|
A |
36 |
12 |
5557 |
◊ |
B |
-y-1/2,x-1/2,z+1/2 |
3_445 |
36 |
7 |
5815 |
275.4 |
0.2 |
0.839 |
2 |
3 |
0 |
0.041 |
| Average: |
294.4 |
0.7 |
0.856 |
3 |
3 |
0 |
0.041 |
| 4 |
7 |
|
A |
26 |
6 |
5557 |
◊ |
A |
-x,-y-1,z |
2_545 |
25 |
6 |
5557 |
210.4 |
-3.9 |
0.365 |
0 |
0 |
0 |
0.000 |
| 5 |
8 |
|
C |
15 |
5 |
5558 |
◊ |
C |
-x,-y,z |
2_555 |
15 |
5 |
5558 |
181.0 |
-5.2 |
0.081 |
0 |
0 |
0 |
0.029 |
| 6 |
9 |
|
C |
20 |
6 |
5558 |
◊ |
B |
-x,-y,z |
2_555 |
16 |
6 |
5815 |
177.1 |
-1.9 |
0.417 |
2 |
0 |
0 |
0.031 |
| 7 |
10 |
|
C |
8 |
4 |
5558 |
◊ |
B |
x,y,z |
1_555 |
13 |
7 |
5815 |
96.2 |
-1.5 |
0.313 |
0 |
0 |
0 |
0.018 |
| 8 |
11 |
|
C |
18 |
7 |
5558 |
◊ |
A |
x-1/2,-y-1/2,-z-1/2 |
6_444 |
7 |
2 |
5557 |
87.5 |
1.4 |
0.795 |
2 |
0 |
0 |
0.000 |
| 9 |
12 |
|
C |
9 |
3 |
5558 |
◊ |
B |
y,x,-z-1 |
7_554 |
8 |
2 |
5815 |
67.8 |
0.3 |
0.759 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[SO4]C:401 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
5815 |
67.4 |
-9.1 |
0.811 |
1 |
0 |
0 |
0.378 |
| 11 |
14 |
|
[SO4]C:402 |
5 |
1 |
184 |
f |
A |
y,x,-z |
7_555 |
10 |
4 |
5557 |
58.7 |
-7.2 |
0.841 |
1 |
0 |
0 |
0.224 |
| 12 |
15 |
|
A |
10 |
6 |
5557 |
◊ |
[SO4]B:401 |
-y-1/2,x-1/2,z+1/2 |
3_445 |
5 |
1 |
186 |
57.3 |
-7.0 |
0.833 |
1 |
0 |
0 |
0.093 |
| 13 |
16 |
|
[SO4]C:402 |
5 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
5558 |
56.7 |
-6.2 |
0.903 |
2 |
0 |
0 |
0.089 |
| 14 |
17 |
|
[SO4]C:403 |
4 |
1 |
185 |
◊ |
B |
x-1/2,-y-1/2,-z-1/2 |
6_444 |
9 |
4 |
5815 |
55.9 |
-6.7 |
0.909 |
2 |
0 |
0 |
0.095 |
| 15 |
18 |
|
[SO4]C:403 |
4 |
1 |
185 |
◊ |
A |
y,x,-z |
7_555 |
8 |
3 |
5557 |
55.5 |
-6.7 |
0.906 |
2 |
0 |
0 |
0.095 |
| 16 |
19 |
|
[SO4]C:403 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
5558 |
53.8 |
-6.5 |
0.892 |
3 |
0 |
0 |
0.230 |
| 17 |
20 |
|
C |
10 |
6 |
5558 |
◊ |
[SO4]B:401 |
x-1/2,-y-1/2,-z-1/2 |
6_444 |
5 |
1 |
186 |
51.1 |
-6.2 |
0.819 |
1 |
0 |
0 |
0.082 |
| 18 |
21 |
|
[SO4]C:402 |
5 |
1 |
184 |
◊ |
B |
x-1/2,-y-1/2,-z-1/2 |
6_444 |
9 |
4 |
5815 |
47.9 |
-5.6 |
0.853 |
0 |
0 |
0 |
0.070 |
| 19 |
22 |
|
[SO4]C:401 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
5557 |
47.4 |
-6.9 |
0.465 |
2 |
0 |
0 |
0.195 |
| 20 |
23 |
|
[SO4]B:401 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
5815 |
46.3 |
-6.1 |
0.763 |
1 |
0 |
0 |
0.258 |
| 21 |
24 |
|
[SO4]C:401 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
5558 |
45.4 |
-6.7 |
0.480 |
2 |
0 |
0 |
0.089 |
| 22 |
25 |
|
A |
2 |
1 |
5557 |
◊ |
C |
-x-1/2,y-1/2,-z-1/2 |
5_444 |
4 |
1 |
5558 |
39.5 |
-1.1 |
0.195 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[SO4]C:402 |
4 |
1 |
184 |
◊ |
[SO4]B:401 |
x-1/2,-y-1/2,-z-1/2 |
6_444 |
1 |
1 |
186 |
14.6 |
-3.2 |
0.894 |
0 |
0 |
0 |
0.040 |
| 24 |
27 |
|
B |
1 |
1 |
5815 |
◊ |
A |
-y-1/2,x-1/2,z-1/2 |
3_444 |
3 |
1 |
5557 |
3.7 |
-0.1 |
0.519 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
[SO4]C:403 |
1 |
1 |
185 |
◊ |
[SO4]B:401 |
x-1/2,-y-1/2,-z-1/2 |
6_444 |
1 |
1 |
186 |
0.1 |
-0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|