| ## |
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 |
108 |
27 |
8539 |
◊ |
A |
x,y,z |
1_555 |
107 |
28 |
8540 |
1081.6 |
-18.7 |
0.080 |
12 |
4 |
0 |
0.206 |
| 2 |
2 |
|
A |
60 |
18 |
8540 |
x |
A |
z,-x,-y |
6_555 |
70 |
20 |
8540 |
603.8 |
-9.5 |
0.158 |
4 |
0 |
0 |
0.206 |
3 |
|
B |
64 |
18 |
8539 |
x |
B |
z,-x,-y |
6_555 |
53 |
15 |
8539 |
529.2 |
-10.4 |
0.150 |
3 |
0 |
0 |
0.206 |
| Average: |
566.5 |
-9.9 |
0.154 |
4 |
0 |
0 |
0.206 |
| 3 |
4 |
|
A |
38 |
11 |
8540 |
◊ |
B |
z-1/2,x-1/2,y+1/2 |
17_445 |
48 |
16 |
8539 |
435.5 |
-4.9 |
0.365 |
3 |
0 |
0 |
0.048 |
| 4 |
5 |
|
A |
48 |
16 |
8540 |
◊ |
B |
-z+1/2,-x+1/2,y+1/2 |
19_555 |
46 |
16 |
8539 |
434.6 |
-2.7 |
0.575 |
6 |
2 |
0 |
0.044 |
| 5 |
6 |
|
[EXS]A:201 |
20 |
1 |
493 |
◊ |
A |
x,y,z |
1_555 |
38 |
18 |
8540 |
295.8 |
0.6 |
0.455 |
2 |
0 |
0 |
0.014 |
7 |
|
[EXS]B:201 |
21 |
1 |
488 |
◊ |
B |
x,y,z |
1_555 |
34 |
16 |
8539 |
291.2 |
1.4 |
0.478 |
5 |
0 |
0 |
0.014 |
| Average: |
293.5 |
1.0 |
0.466 |
4 |
0 |
0 |
0.014 |
| 6 |
8 |
|
B |
27 |
7 |
8539 |
◊ |
A |
z,-x,-y |
6_555 |
25 |
6 |
8540 |
237.2 |
-5.5 |
0.147 |
0 |
0 |
0 |
0.033 |
| 7 |
9 |
|
B |
21 |
6 |
8539 |
◊ |
A |
-z+1/2,x-1/2,-y+1/2 |
20_545 |
23 |
7 |
8540 |
161.2 |
0.5 |
0.815 |
0 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[EXS]A:201 |
14 |
1 |
493 |
f |
A |
z,-x,-y |
6_555 |
15 |
4 |
8540 |
115.2 |
2.2 |
0.542 |
1 |
0 |
0 |
0.000 |
11 |
|
B |
14 |
4 |
8539 |
f |
[EXS]B:201 |
z,-x,-y |
6_555 |
10 |
1 |
488 |
93.1 |
2.1 |
0.486 |
0 |
0 |
0 |
0.000 |
| Average: |
104.1 |
2.2 |
0.514 |
1 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[SO4]A:204 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
8540 |
104.1 |
-13.3 |
0.941 |
5 |
0 |
0 |
0.254 |
| 10 |
13 |
|
[SO4]B:203 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
8539 |
96.4 |
-12.8 |
0.935 |
5 |
0 |
0 |
0.265 |
| 11 |
14 |
|
[SO4]A:202 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
8540 |
89.2 |
-11.6 |
0.896 |
5 |
0 |
0 |
0.225 |
| 12 |
15 |
|
[SO4]B:202 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
8539 |
81.1 |
-10.6 |
0.914 |
4 |
0 |
0 |
0.218 |
| 13 |
16 |
|
[SO4]B:204 |
5 |
1 |
186 |
f |
B |
z,-x,-y |
6_555 |
9 |
4 |
8539 |
75.8 |
-11.0 |
0.729 |
3 |
0 |
0 |
0.217 |
| 14 |
17 |
|
A |
9 |
4 |
8540 |
f |
[SO4]A:203 |
z,-x,-y |
6_555 |
5 |
1 |
183 |
69.7 |
-10.1 |
0.670 |
2 |
0 |
0 |
0.179 |
| 15 |
18 |
|
[SO4]A:203 |
5 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
8540 |
69.1 |
-9.2 |
0.902 |
2 |
0 |
0 |
0.164 |
| 16 |
19 |
|
[SO4]B:202 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
8540 |
62.5 |
-8.8 |
0.816 |
2 |
0 |
0 |
0.081 |
| 17 |
20 |
|
[SO4]A:202 |
5 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
8539 |
62.0 |
-8.5 |
0.837 |
1 |
0 |
0 |
0.075 |
| 18 |
21 |
|
[SO4]B:204 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
8539 |
48.4 |
-4.8 |
0.937 |
1 |
0 |
0 |
0.093 |
| 19 |
22 |
|
A |
6 |
2 |
8540 |
◊ |
B |
x-1/2,-y-1/2,-z+1/2 |
16_445 |
3 |
1 |
8539 |
41.0 |
0.8 |
0.851 |
2 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[SO4]B:204 |
1 |
1 |
186 |
◊ |
[EXS]B:201 |
z,-x,-y |
6_555 |
3 |
1 |
488 |
14.6 |
-1.3 |
0.615 |
0 |
0 |
0 |
0.024 |
| 21 |
24 |
|
[EXS]A:201 |
4 |
1 |
493 |
◊ |
[SO4]A:203 |
z,-x,-y |
6_555 |
2 |
1 |
183 |
11.9 |
-1.1 |
0.653 |
0 |
0 |
0 |
0.018 |
| 22 |
25 |
|
A |
1 |
1 |
8540 |
◊ |
B |
z,-x,-y |
6_555 |
2 |
2 |
8539 |
9.3 |
0.0 |
0.600 |
0 |
0 |
0 |
0.000 |
|