| ## |
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 |
102 |
25 |
8953 |
◊ |
A |
x,y,z |
1_555 |
87 |
27 |
7812 |
842.3 |
-11.0 |
0.223 |
8 |
4 |
0 |
1.000 |
2 |
|
C |
95 |
24 |
8339 |
◊ |
B |
x,y,z |
1_555 |
88 |
25 |
8953 |
838.8 |
-8.4 |
0.387 |
10 |
9 |
0 |
1.000 |
3 |
|
C |
93 |
26 |
8339 |
◊ |
A |
x,y,z |
1_555 |
95 |
23 |
7812 |
827.7 |
-9.0 |
0.402 |
10 |
11 |
0 |
1.000 |
| Average: |
836.3 |
-9.5 |
0.337 |
9 |
8 |
0 |
1.000 |
| 2 |
4 |
|
B |
47 |
12 |
8953 |
x |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
52 |
16 |
8339 |
466.4 |
-0.9 |
0.641 |
6 |
6 |
0 |
0.000 |
5 |
|
A |
2 |
1 |
7812 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
7812 |
10.5 |
-0.3 |
0.315 |
0 |
0 |
0 |
0.000 |
| Average: |
238.4 |
-0.6 |
0.478 |
3 |
3 |
0 |
0.000 |
| 3 |
6 |
|
A |
45 |
11 |
7812 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
42 |
12 |
8953 |
358.1 |
-2.2 |
0.584 |
2 |
0 |
0 |
0.000 |
| 4 |
7 |
|
A |
22 |
9 |
7812 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
22 |
9 |
8339 |
162.1 |
3.8 |
0.958 |
3 |
3 |
0 |
0.000 |
| 5 |
8 |
|
B |
14 |
4 |
8953 |
x |
B |
x-1/2,-y+3/2,-z |
4_465 |
22 |
8 |
8953 |
159.9 |
1.3 |
0.782 |
3 |
1 |
0 |
0.000 |
| 6 |
9 |
|
[EDO]B:198 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
8953 |
95.3 |
2.8 |
0.464 |
2 |
0 |
0 |
0.000 |
| 7 |
10 |
|
[EDO]B:199 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
8953 |
88.3 |
2.4 |
0.287 |
4 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[NO3]C:197 |
4 |
1 |
167 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
8339 |
77.9 |
1.6 |
0.679 |
4 |
0 |
0 |
0.100 |
| 9 |
12 |
|
[NO3]B:197 |
4 |
1 |
167 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
8953 |
74.8 |
1.4 |
0.526 |
4 |
0 |
0 |
0.008 |
| 10 |
13 |
|
[NO3]C:198 |
4 |
1 |
169 |
◊ |
C |
x,y,z |
1_555 |
10 |
6 |
8339 |
68.7 |
1.7 |
0.569 |
1 |
0 |
0 |
0.000 |
| 11 |
14 |
|
B |
6 |
1 |
8953 |
◊ |
A |
-x+3/2,-y+2,z-1/2 |
2_674 |
10 |
4 |
7812 |
62.5 |
-0.3 |
0.611 |
1 |
0 |
0 |
0.000 |
| 12 |
15 |
|
A |
10 |
5 |
7812 |
f |
[NO3]C:198 |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
1 |
169 |
62.4 |
1.8 |
0.575 |
2 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[EDO]B:200 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
8953 |
54.0 |
1.8 |
0.310 |
1 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[NO3]B:197 |
4 |
1 |
167 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
8339 |
52.5 |
0.6 |
0.447 |
1 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[NO3]C:197 |
4 |
1 |
167 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
7812 |
49.6 |
0.5 |
0.737 |
1 |
0 |
0 |
0.000 |
| 16 |
19 |
|
C |
4 |
2 |
8339 |
x |
C |
x-1,y,z |
1_455 |
2 |
2 |
8339 |
40.8 |
1.2 |
0.670 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
B |
7 |
1 |
8953 |
◊ |
[EDO]B:200 |
x-1/2,-y+3/2,-z |
4_465 |
3 |
1 |
185 |
36.4 |
0.2 |
0.628 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[EDO]B:198 |
3 |
1 |
186 |
f |
B |
x-1/2,-y+3/2,-z |
4_465 |
3 |
2 |
8953 |
29.5 |
-0.0 |
0.490 |
0 |
0 |
0 |
0.000 |
| 19 |
22 |
|
C |
4 |
1 |
8339 |
x |
C |
x-1/2,-y+5/2,-z |
4_475 |
3 |
2 |
8339 |
22.2 |
-0.2 |
0.513 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
A |
4 |
2 |
7812 |
f |
[EDO]B:200 |
x-1/2,-y+3/2,-z |
4_465 |
2 |
1 |
185 |
20.4 |
0.1 |
0.653 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[EDO]B:198 |
2 |
1 |
186 |
◊ |
[EDO]B:200 |
x-1/2,-y+3/2,-z |
4_465 |
3 |
1 |
185 |
19.8 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[NO3]B:197 |
1 |
1 |
167 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7812 |
3.8 |
0.1 |
0.875 |
0 |
0 |
0 |
0.000 |
|