| ## |
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 |
|
H |
193 |
50 |
11459 |
◊ |
L |
x,y,z |
1_555 |
200 |
57 |
11071 |
1773.6 |
-24.6 |
0.033 |
13 |
0 |
0 |
0.698 |
2 |
|
I |
177 |
46 |
11177 |
◊ |
M |
x,y,z |
1_555 |
181 |
54 |
11147 |
1625.8 |
-23.1 |
0.039 |
8 |
0 |
0 |
0.698 |
| Average: |
1699.7 |
-23.9 |
0.036 |
11 |
0 |
0 |
0.698 |
| 2 |
3 |
|
L |
63 |
24 |
11071 |
◊ |
M |
x-1,y,z+1 |
1_456 |
68 |
24 |
11147 |
586.2 |
-1.0 |
0.652 |
13 |
1 |
0 |
0.000 |
| 3 |
4 |
|
H |
36 |
14 |
11459 |
x |
H |
-x,y-1/2,-z+1 |
2_546 |
41 |
13 |
11459 |
313.6 |
1.3 |
0.826 |
5 |
0 |
0 |
0.000 |
| 4 |
5 |
|
M |
32 |
9 |
11147 |
◊ |
H |
x,y,z-1 |
1_554 |
32 |
13 |
11459 |
299.8 |
-1.4 |
0.559 |
4 |
0 |
0 |
0.000 |
| 5 |
6 |
|
H |
28 |
8 |
11459 |
◊ |
M |
-x,y-1/2,-z+1 |
2_546 |
30 |
9 |
11147 |
281.8 |
-2.7 |
0.363 |
2 |
0 |
0 |
0.000 |
| 6 |
7 |
|
I |
25 |
8 |
11177 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
31 |
11 |
11071 |
259.2 |
-2.3 |
0.417 |
0 |
0 |
0 |
0.000 |
| 7 |
8 |
|
I |
27 |
8 |
11177 |
◊ |
M |
-x+1,y-1/2,-z |
2_645 |
30 |
12 |
11147 |
232.0 |
-0.8 |
0.603 |
2 |
2 |
0 |
0.000 |
| 8 |
9 |
|
H |
26 |
7 |
11459 |
◊ |
L |
-x-1,y-1/2,-z+1 |
2_446 |
26 |
12 |
11071 |
217.4 |
-1.1 |
0.537 |
1 |
0 |
0 |
0.000 |
| 9 |
10 |
|
I |
23 |
10 |
11177 |
◊ |
M |
x-1,y,z |
1_455 |
28 |
9 |
11147 |
211.0 |
-1.7 |
0.423 |
0 |
0 |
0 |
0.000 |
| 10 |
11 |
|
L |
28 |
11 |
11071 |
◊ |
H |
x-1,y,z |
1_455 |
23 |
8 |
11459 |
204.3 |
2.6 |
0.861 |
4 |
1 |
0 |
0.000 |
| 11 |
12 |
|
I |
26 |
8 |
11177 |
◊ |
H |
x,y,z |
1_555 |
29 |
9 |
11459 |
203.5 |
3.4 |
0.919 |
3 |
0 |
0 |
0.000 |
| 12 |
13 |
|
I |
24 |
12 |
11177 |
x |
I |
-x,y-1/2,-z |
2_545 |
21 |
7 |
11177 |
163.4 |
0.5 |
0.747 |
2 |
0 |
0 |
0.000 |
| 13 |
14 |
|
I |
20 |
7 |
11177 |
◊ |
M |
-x,y-1/2,-z |
2_545 |
20 |
7 |
11147 |
160.4 |
1.5 |
0.829 |
2 |
0 |
0 |
0.000 |
| 14 |
15 |
|
I |
18 |
8 |
11177 |
◊ |
L |
x,y,z-1 |
1_554 |
13 |
5 |
11071 |
137.5 |
-0.7 |
0.531 |
0 |
0 |
0 |
0.000 |
| 15 |
16 |
|
I |
20 |
7 |
11177 |
◊ |
L |
-x,y-1/2,-z+1 |
2_546 |
13 |
3 |
11071 |
119.5 |
0.6 |
0.747 |
1 |
0 |
0 |
0.000 |
| 16 |
17 |
|
H |
17 |
6 |
11459 |
◊ |
M |
-x,y-1/2,-z |
2_545 |
15 |
5 |
11147 |
113.1 |
0.7 |
0.745 |
1 |
0 |
0 |
0.000 |
| 17 |
18 |
|
L |
17 |
6 |
11071 |
◊ |
M |
x-1,y,z |
1_455 |
13 |
7 |
11147 |
104.4 |
-0.3 |
0.574 |
1 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[SO4]H:302 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
11 |
6 |
11459 |
100.2 |
-16.7 |
0.665 |
1 |
0 |
0 |
0.352 |
| 19 |
20 |
|
M |
13 |
5 |
11147 |
◊ |
L |
x,y,z-1 |
1_554 |
12 |
4 |
11071 |
96.6 |
-1.0 |
0.438 |
1 |
0 |
0 |
0.000 |
| 20 |
21 |
|
L |
13 |
6 |
11071 |
x |
L |
-x-1,y-1/2,-z+1 |
2_446 |
9 |
3 |
11071 |
95.9 |
1.5 |
0.780 |
0 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[SO4]H:301 |
5 |
1 |
186 |
f |
M |
-x,y-1/2,-z |
2_545 |
11 |
4 |
11147 |
84.7 |
-10.7 |
0.874 |
2 |
0 |
0 |
0.302 |
| 22 |
23 |
|
[SO4]H:301 |
5 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
12 |
6 |
11459 |
71.2 |
-9.5 |
0.834 |
3 |
0 |
0 |
0.028 |
| 23 |
24 |
|
H |
6 |
2 |
11459 |
◊ |
L |
-x,y-1/2,-z+1 |
2_546 |
9 |
4 |
11071 |
57.4 |
0.1 |
0.601 |
0 |
0 |
0 |
0.000 |
| 24 |
25 |
|
M |
2 |
1 |
11147 |
◊ |
[SO4]H:302 |
x,y,z-1 |
1_554 |
4 |
1 |
186 |
22.6 |
-1.9 |
0.948 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
L |
1 |
1 |
11071 |
◊ |
M |
-x,y-1/2,-z |
2_545 |
2 |
2 |
11147 |
13.7 |
-0.0 |
0.368 |
0 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[SO4]H:302 |
2 |
1 |
186 |
◊ |
L |
x,y,z |
1_555 |
2 |
2 |
11071 |
9.0 |
-1.2 |
0.592 |
0 |
0 |
0 |
0.025 |
| 27 |
28 |
|
M |
1 |
1 |
11147 |
x |
M |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
11147 |
5.7 |
-0.2 |
0.369 |
0 |
0 |
0 |
0.000 |
| 28 |
29 |
|
H |
2 |
2 |
11459 |
◊ |
I |
x-1,y,z+1 |
1_456 |
2 |
2 |
11177 |
5.6 |
-0.2 |
0.480 |
0 |
0 |
0 |
0.000 |
| 29 |
30 |
|
I |
1 |
1 |
11177 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
11071 |
3.5 |
-0.0 |
0.526 |
0 |
0 |
0 |
0.000 |
|