| ## |
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 |
|
I |
99 |
24 |
6535 |
◊ |
M |
x,y,z |
1_555 |
100 |
25 |
6026 |
872.4 |
-12.2 |
0.199 |
4 |
0 |
0 |
0.448 |
2 |
|
H |
93 |
23 |
6478 |
◊ |
L |
x,y,z |
1_555 |
99 |
25 |
5854 |
850.9 |
-13.1 |
0.119 |
6 |
0 |
0 |
0.448 |
| Average: |
861.7 |
-12.7 |
0.159 |
5 |
0 |
0 |
0.448 |
| 2 |
3 |
|
M |
48 |
17 |
6026 |
◊ |
M |
-x+1,-y,z |
2_655 |
48 |
17 |
6026 |
531.6 |
-5.3 |
0.323 |
12 |
0 |
0 |
0.029 |
4 |
|
L |
50 |
19 |
5854 |
◊ |
L |
-x+1,-y,z |
2_655 |
50 |
19 |
5854 |
531.0 |
-4.7 |
0.353 |
10 |
0 |
0 |
0.029 |
| Average: |
531.3 |
-5.0 |
0.338 |
11 |
0 |
0 |
0.029 |
| 3 |
5 |
|
H |
52 |
14 |
6478 |
◊ |
A |
x,y,z |
1_555 |
47 |
15 |
5124 |
419.0 |
-1.6 |
0.653 |
5 |
3 |
0 |
0.009 |
6 |
|
I |
55 |
14 |
6535 |
◊ |
B |
x,y,z |
1_555 |
46 |
14 |
5101 |
418.0 |
-0.6 |
0.763 |
5 |
2 |
0 |
0.009 |
| Average: |
418.5 |
-1.1 |
0.708 |
5 |
3 |
0 |
0.009 |
| 4 |
7 |
|
M |
41 |
15 |
6026 |
◊ |
L |
-x+1,-y,z-1 |
2_654 |
39 |
14 |
5854 |
368.5 |
-1.8 |
0.581 |
15 |
0 |
0 |
0.000 |
| 5 |
8 |
|
H |
36 |
13 |
6478 |
◊ |
B |
x,y,z |
1_555 |
32 |
14 |
5101 |
333.3 |
-2.2 |
0.447 |
2 |
0 |
0 |
0.000 |
9 |
|
I |
36 |
13 |
6535 |
◊ |
A |
x,y,z |
1_555 |
29 |
15 |
5124 |
325.4 |
-1.3 |
0.535 |
3 |
0 |
0 |
0.000 |
| Average: |
329.4 |
-1.8 |
0.491 |
3 |
0 |
0 |
0.000 |
| 6 |
10 |
|
L |
33 |
11 |
5854 |
◊ |
A |
x,y,z |
1_555 |
32 |
14 |
5124 |
304.3 |
-3.6 |
0.341 |
7 |
0 |
0 |
0.016 |
11 |
|
M |
31 |
10 |
6026 |
◊ |
B |
x,y,z |
1_555 |
31 |
13 |
5101 |
302.0 |
-3.5 |
0.357 |
7 |
0 |
0 |
0.016 |
| Average: |
303.1 |
-3.5 |
0.349 |
7 |
0 |
0 |
0.016 |
| 7 |
12 |
|
B |
39 |
10 |
5101 |
◊ |
I |
x-1/2,-y-1/2,-z-1 |
4_444 |
30 |
12 |
6535 |
287.2 |
-1.1 |
0.654 |
8 |
0 |
0 |
0.000 |
| 8 |
13 |
|
H |
26 |
10 |
6478 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
21 |
7 |
5124 |
187.7 |
-0.8 |
0.595 |
0 |
0 |
0 |
0.000 |
| 9 |
14 |
|
M |
15 |
5 |
6026 |
◊ |
L |
x,y,z-1 |
1_554 |
18 |
6 |
5854 |
159.1 |
3.9 |
0.966 |
2 |
0 |
0 |
0.000 |
| 10 |
15 |
|
B |
15 |
4 |
5101 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
5124 |
120.3 |
-0.4 |
0.631 |
1 |
0 |
0 |
0.000 |
| 11 |
16 |
|
M |
10 |
4 |
6026 |
◊ |
B |
-x+1,-y,z |
2_655 |
11 |
5 |
5101 |
102.2 |
-1.5 |
0.359 |
1 |
0 |
0 |
0.004 |
17 |
|
L |
10 |
4 |
5854 |
◊ |
A |
-x+1,-y,z |
2_655 |
11 |
5 |
5124 |
100.9 |
-1.4 |
0.371 |
1 |
0 |
0 |
0.004 |
| Average: |
101.6 |
-1.4 |
0.365 |
1 |
0 |
0 |
0.004 |
| 12 |
18 |
|
[SO4]M:201 |
5 |
1 |
187 |
f |
M |
x,y,z |
1_555 |
15 |
5 |
6026 |
97.2 |
-12.4 |
0.908 |
2 |
0 |
0 |
0.408 |
| 13 |
19 |
|
[SO4]L:201 |
5 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
14 |
5 |
5854 |
97.0 |
-13.5 |
0.849 |
2 |
0 |
0 |
0.407 |
| 14 |
20 |
|
I |
9 |
3 |
6535 |
◊ |
H |
x,y,z |
1_555 |
8 |
2 |
6478 |
79.4 |
1.5 |
0.878 |
0 |
0 |
0 |
0.000 |
| 15 |
21 |
|
H |
8 |
3 |
6478 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
4 |
5124 |
74.2 |
-0.3 |
0.591 |
0 |
0 |
0 |
0.000 |
22 |
|
B |
7 |
3 |
5101 |
◊ |
I |
x-1,y,z |
1_455 |
6 |
2 |
6535 |
56.2 |
-0.5 |
0.508 |
0 |
0 |
0 |
0.000 |
| Average: |
65.2 |
-0.4 |
0.549 |
0 |
0 |
0 |
0.000 |
| 16 |
23 |
|
[SO4]M:201 |
3 |
1 |
187 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
6535 |
41.5 |
-5.3 |
0.478 |
0 |
0 |
0 |
0.163 |
| 17 |
24 |
|
[SO4]L:201 |
3 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
5 |
1 |
6478 |
41.3 |
-4.7 |
0.824 |
1 |
0 |
0 |
0.146 |
| 18 |
25 |
|
M |
2 |
1 |
6026 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
5124 |
4.4 |
0.0 |
0.627 |
0 |
0 |
0 |
0.000 |
|