| ## |
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 |
55 |
18 |
9619 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
58 |
18 |
9619 |
522.5 |
-4.2 |
0.275 |
2 |
0 |
0 |
0.000 |
2 |
|
A |
53 |
17 |
9750 |
x |
A |
-x,y-1/2,-z |
2_545 |
52 |
17 |
9750 |
499.9 |
-3.5 |
0.323 |
1 |
0 |
0 |
0.000 |
| Average: |
511.2 |
-3.9 |
0.299 |
2 |
0 |
0 |
0.000 |
| 2 |
3 |
|
A |
55 |
16 |
9750 |
x |
A |
x-1,y,z |
1_455 |
55 |
15 |
9750 |
458.5 |
1.8 |
0.751 |
4 |
2 |
0 |
0.000 |
4 |
|
B |
59 |
14 |
9619 |
x |
B |
x-1,y,z |
1_455 |
49 |
16 |
9619 |
457.1 |
0.9 |
0.691 |
1 |
2 |
0 |
0.000 |
| Average: |
457.8 |
1.4 |
0.721 |
3 |
2 |
0 |
0.000 |
| 3 |
5 |
|
B |
44 |
13 |
9619 |
◊ |
A |
x,y,z |
1_555 |
44 |
13 |
9750 |
400.4 |
-1.1 |
0.519 |
2 |
0 |
0 |
0.000 |
| 4 |
6 |
|
[E64]B:301 |
25 |
1 |
612 |
cf |
B |
x,y,z |
1_555 |
53 |
16 |
9619 |
343.8 |
3.2 |
0.462 |
6 |
0 |
0 |
0.000 |
7 |
|
[E64]A:301 |
25 |
1 |
601 |
cf |
A |
x,y,z |
1_555 |
51 |
16 |
9750 |
341.3 |
3.4 |
0.454 |
6 |
0 |
0 |
0.000 |
| Average: |
342.5 |
3.3 |
0.458 |
6 |
0 |
0 |
0.000 |
| 5 |
8 |
|
[GOL]A:303 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
9750 |
117.7 |
-1.0 |
0.423 |
1 |
0 |
0 |
0.006 |
| 6 |
9 |
|
[GOL]B:304 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
9619 |
117.6 |
-1.0 |
0.394 |
1 |
0 |
0 |
0.007 |
| 7 |
10 |
|
[SO4]A:304 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
9750 |
90.2 |
-13.5 |
0.706 |
2 |
0 |
0 |
0.054 |
| 8 |
11 |
|
[GOL]B:305 |
6 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
9619 |
88.1 |
-0.3 |
0.502 |
0 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[GOL]B:305 |
5 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
9750 |
82.9 |
-1.1 |
0.363 |
0 |
0 |
0 |
0.004 |
| 10 |
13 |
|
[SO4]B:303 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
9619 |
73.0 |
-8.7 |
0.862 |
1 |
0 |
0 |
0.044 |
| 11 |
14 |
|
[SO4]A:302 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
9750 |
69.8 |
-9.6 |
0.896 |
2 |
0 |
0 |
0.039 |
| 12 |
15 |
|
[SO4]B:302 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
9619 |
68.9 |
-9.7 |
0.884 |
2 |
0 |
0 |
0.051 |
| 13 |
16 |
|
A |
8 |
3 |
9750 |
◊ |
[SO4]A:304 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
185 |
44.1 |
-5.7 |
0.586 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[SO4]B:302 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
9750 |
33.4 |
-4.1 |
0.882 |
0 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[SO4]A:302 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
9619 |
27.5 |
-4.0 |
0.577 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
B |
3 |
2 |
9619 |
◊ |
[SO4]B:303 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
185 |
24.6 |
-3.3 |
0.477 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[E64]B:301 |
1 |
1 |
612 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
9619 |
3.0 |
-0.0 |
0.452 |
0 |
0 |
0 |
0.000 |
|