| ## |
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 |
|
C |
76 |
26 |
10329 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
83 |
20 |
9238 |
749.6 |
-7.7 |
0.164 |
7 |
2 |
0 |
0.021 |
| 2 |
2 |
|
C |
61 |
20 |
10329 |
◊ |
A |
x,y,z |
1_555 |
64 |
22 |
9319 |
582.1 |
-5.0 |
0.354 |
8 |
0 |
0 |
0.252 |
3 |
|
C |
63 |
22 |
10329 |
◊ |
B |
x,y,z |
1_555 |
61 |
19 |
9238 |
577.2 |
-4.5 |
0.402 |
8 |
0 |
0 |
0.252 |
4 |
|
B |
55 |
20 |
9238 |
◊ |
A |
x,y,z |
1_555 |
54 |
15 |
9319 |
518.1 |
-5.3 |
0.260 |
7 |
0 |
0 |
0.252 |
| Average: |
559.1 |
-4.9 |
0.339 |
8 |
0 |
0 |
0.252 |
| 3 |
5 |
|
A |
37 |
16 |
9319 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
39 |
10 |
10329 |
381.0 |
-0.4 |
0.544 |
5 |
3 |
0 |
0.000 |
| 4 |
6 |
|
C |
25 |
7 |
10329 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
29 |
8 |
9319 |
258.8 |
-0.9 |
0.490 |
1 |
1 |
0 |
0.000 |
| 5 |
7 |
|
C |
26 |
8 |
10329 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
29 |
9 |
9238 |
239.2 |
0.4 |
0.729 |
0 |
0 |
0 |
0.000 |
| 6 |
8 |
|
C |
18 |
6 |
10329 |
x |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
14 |
4 |
10329 |
161.9 |
0.2 |
0.616 |
2 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[CL]A:301 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
9319 |
68.7 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.348 |
10 |
|
[CL]B:301 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
9238 |
68.2 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.348 |
11 |
|
[CL]C:301 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
10329 |
67.3 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.348 |
| Average: |
68.1 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.348 |
| 8 |
12 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
9319 |
60.7 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.296 |
13 |
|
[CL]C:302 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
10329 |
60.1 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.296 |
14 |
|
[CL]B:302 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
9238 |
60.0 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.296 |
| Average: |
60.3 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.296 |
| 9 |
15 |
|
[CL]A:302 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
3 |
9319 |
37.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.108 |
16 |
|
[CL]A:302 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
9238 |
36.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.108 |
17 |
|
[CL]A:302 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
3 |
10329 |
34.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.108 |
| Average: |
36.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.108 |
| 10 |
18 |
|
[CL]B:302 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
9319 |
30.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.086 |
19 |
|
[CL]C:302 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
9238 |
30.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.086 |
20 |
|
[CL]A:303 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
10329 |
30.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.086 |
| Average: |
30.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.086 |
| 11 |
21 |
|
A |
4 |
1 |
9319 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
5 |
2 |
9238 |
28.0 |
-0.3 |
0.434 |
0 |
0 |
0 |
0.000 |
| 12 |
22 |
|
A |
5 |
3 |
9319 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
6 |
3 |
9238 |
20.9 |
-0.1 |
0.576 |
0 |
0 |
0 |
0.000 |
| 13 |
23 |
|
[CL]C:301 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
9238 |
6.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.017 |
24 |
|
[CL]B:301 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9319 |
4.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.017 |
25 |
|
[CL]A:301 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
10329 |
4.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.017 |
| Average: |
4.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.017 |
|