| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
B |
64 |
18 |
10084 |
◊ |
A |
x-1,y,z-1 |
1_454 |
52 |
17 |
9958 |
560.4 |
-5.6 |
0.322 |
4 |
0 |
0 |
0.000 |
2 |
|
B |
47 |
21 |
10084 |
◊ |
A |
x,y,z |
1_555 |
62 |
20 |
9958 |
514.2 |
-5.6 |
0.289 |
2 |
0 |
0 |
0.000 |
3 |
|
A |
53 |
20 |
9958 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
45 |
12 |
10084 |
494.4 |
-0.9 |
0.640 |
7 |
1 |
0 |
0.000 |
4 |
|
B |
19 |
8 |
10084 |
◊ |
A |
x-1,y,z |
1_455 |
33 |
14 |
9958 |
248.9 |
1.9 |
0.800 |
6 |
8 |
0 |
0.000 |
5 |
|
B |
19 |
5 |
10084 |
x |
B |
x-1,y,z |
1_455 |
20 |
8 |
10084 |
172.1 |
-1.4 |
0.349 |
2 |
0 |
0 |
0.000 |
6 |
|
B |
22 |
11 |
10084 |
◊ |
A |
x,y,z-1 |
1_554 |
10 |
4 |
9958 |
144.8 |
1.9 |
0.722 |
3 |
1 |
0 |
0.000 |
7 |
|
[EDO]A:403 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
9958 |
107.7 |
3.2 |
0.495 |
5 |
0 |
0 |
0.000 |
8 |
|
[EDO]A:402 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
9958 |
96.0 |
2.1 |
0.366 |
0 |
0 |
0 |
0.000 |
9 |
|
[NO3]A:401 |
4 |
1 |
160 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
9958 |
94.5 |
2.2 |
0.682 |
4 |
0 |
0 |
0.000 |
10 |
|
[NO3]B:404 |
4 |
1 |
160 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
10084 |
87.5 |
1.0 |
0.450 |
2 |
0 |
0 |
0.000 |
11 |
|
[NO3]B:405 |
4 |
1 |
159 |
◊ |
B |
x,y,z |
1_555 |
17 |
5 |
10084 |
84.6 |
1.2 |
0.593 |
2 |
0 |
0 |
0.000 |
12 |
|
[NO3]B:402 |
4 |
1 |
159 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
10084 |
68.1 |
1.0 |
0.613 |
2 |
0 |
0 |
0.000 |
13 |
|
[NO3]B:403 |
4 |
1 |
160 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
10084 |
63.5 |
0.5 |
0.399 |
1 |
0 |
0 |
0.000 |
14 |
|
[NO3]B:401 |
4 |
1 |
159 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
10084 |
57.4 |
0.3 |
0.399 |
2 |
0 |
0 |
0.139 |
15 |
|
[NO3]B:403 |
4 |
1 |
160 |
f |
A |
x-1,y,z-1 |
1_454 |
10 |
4 |
9958 |
56.6 |
0.4 |
0.417 |
3 |
0 |
0 |
0.000 |
16 |
|
[EDO]A:404 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
9958 |
55.2 |
1.8 |
0.289 |
1 |
0 |
0 |
0.000 |
17 |
|
[NO3]B:406 |
3 |
1 |
160 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
10084 |
50.3 |
0.8 |
0.107 |
2 |
0 |
0 |
0.014 |
18 |
|
[NO3]B:406 |
4 |
1 |
160 |
◊ |
A |
x-1,y,z-1 |
1_454 |
4 |
3 |
9958 |
46.5 |
0.9 |
0.908 |
0 |
0 |
0 |
0.000 |
19 |
|
[NO3]B:402 |
4 |
1 |
159 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
9958 |
46.2 |
0.3 |
0.415 |
0 |
0 |
0 |
0.000 |
20 |
|
[EDO]A:404 |
4 |
1 |
183 |
◊ |
A |
x,y,z-1 |
1_554 |
7 |
2 |
9958 |
44.5 |
0.9 |
0.793 |
0 |
0 |
0 |
0.000 |
21 |
|
B |
6 |
2 |
10084 |
f |
[EDO]A:404 |
x-1,y,z |
1_455 |
3 |
1 |
183 |
44.4 |
0.9 |
0.847 |
3 |
0 |
0 |
0.117 |
22 |
|
[NO3]B:401 |
3 |
1 |
159 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
1 |
9958 |
35.0 |
0.9 |
0.948 |
2 |
0 |
0 |
0.000 |
23 |
|
[NO3]B:401 |
3 |
1 |
159 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
9958 |
34.7 |
-0.1 |
0.593 |
0 |
0 |
0 |
0.000 |
24 |
|
[EDO]A:403 |
3 |
1 |
185 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
2 |
2 |
10084 |
30.4 |
2.0 |
0.980 |
0 |
0 |
0 |
0.000 |
25 |
|
A |
4 |
2 |
9958 |
x |
A |
x,y,z-1 |
1_554 |
2 |
1 |
9958 |
28.1 |
0.3 |
0.561 |
0 |
0 |
0 |
0.000 |
26 |
|
B |
3 |
1 |
10084 |
◊ |
[NO3]B:402 |
x-1,y,z |
1_455 |
3 |
1 |
159 |
28.0 |
1.1 |
0.968 |
2 |
0 |
0 |
0.000 |
27 |
|
[EDO]A:404 |
3 |
1 |
183 |
◊ |
[NO3]B:401 |
x,y,z |
1_555 |
4 |
1 |
159 |
23.0 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
28 |
|
[NO3]B:406 |
1 |
1 |
160 |
◊ |
[NO3]B:403 |
x,y,z |
1_555 |
3 |
1 |
160 |
21.2 |
0.5 |
0.500 |
0 |
0 |
0 |
0.000 |
29 |
|
[NO3]B:405 |
3 |
1 |
159 |
f |
B |
x-1,y,z |
1_455 |
4 |
2 |
10084 |
20.6 |
0.2 |
0.797 |
0 |
0 |
0 |
0.000 |
30 |
|
[NO3]B:406 |
3 |
1 |
160 |
◊ |
[NO3]A:401 |
x-1,y,z-1 |
1_454 |
3 |
1 |
160 |
20.0 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
31 |
|
[EDO]A:402 |
1 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
10084 |
5.0 |
0.3 |
0.890 |
0 |
0 |
0 |
0.000 |
32 |
|
[EDO]A:404 |
1 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10084 |
3.4 |
0.0 |
0.641 |
0 |
0 |
0 |
0.000 |
|