| ## |
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 |
|
A |
67 |
21 |
11536 |
x |
A |
x-1/2,-y-3/2,-z+1 |
4_436 |
69 |
21 |
11536 |
645.8 |
-6.6 |
0.080 |
8 |
0 |
0 |
0.000 |
| 2 |
2 |
|
B |
51 |
13 |
11265 |
x |
B |
x-1/2,-y-1/2,-z+1 |
4_446 |
50 |
15 |
11265 |
443.3 |
-5.8 |
0.141 |
2 |
0 |
0 |
0.000 |
| 3 |
3 |
|
A |
51 |
14 |
11536 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
48 |
13 |
11265 |
423.6 |
-3.8 |
0.409 |
4 |
4 |
0 |
0.000 |
| 4 |
4 |
|
A |
15 |
5 |
11536 |
◊ |
B |
x-1/2,-y-3/2,-z+1 |
4_436 |
19 |
8 |
11265 |
150.4 |
0.4 |
0.752 |
1 |
0 |
0 |
0.000 |
5 |
|
B |
8 |
3 |
11265 |
◊ |
A |
x-1/2,-y-3/2,-z+1 |
4_436 |
12 |
5 |
11536 |
72.9 |
-0.8 |
0.365 |
0 |
0 |
0 |
0.000 |
| Average: |
111.6 |
-0.2 |
0.558 |
1 |
0 |
0 |
0.000 |
| 5 |
6 |
|
A |
18 |
6 |
11536 |
◊ |
B |
x,y-1,z |
1_545 |
16 |
4 |
11265 |
142.2 |
-2.0 |
0.293 |
0 |
0 |
0 |
0.000 |
| 6 |
7 |
|
B |
19 |
6 |
11265 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
11536 |
139.4 |
-2.3 |
0.294 |
1 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[EDO]B:401 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
31 |
16 |
11265 |
131.7 |
3.2 |
0.606 |
1 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[EDO]B:402 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
24 |
10 |
11265 |
122.1 |
3.6 |
0.644 |
2 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[EDO]A:403 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
11536 |
92.6 |
3.5 |
0.528 |
1 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[EDO]A:401 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
11536 |
85.3 |
2.6 |
0.515 |
4 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[CL]A:404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
11536 |
72.4 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.136 |
13 |
|
[CL]B:403 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
11265 |
70.2 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.136 |
| Average: |
71.3 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.136 |
| 12 |
14 |
|
[EDO]A:402 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
11536 |
68.1 |
1.1 |
0.725 |
4 |
0 |
0 |
0.007 |
| 13 |
15 |
|
[CL]B:404 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
11265 |
65.9 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.056 |
| 14 |
16 |
|
A |
11 |
6 |
11536 |
◊ |
[EDO]A:401 |
x-1/2,-y-3/2,-z+1 |
4_436 |
4 |
1 |
185 |
59.9 |
1.0 |
0.197 |
0 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[CL]B:403 |
1 |
1 |
125 |
f |
[EDO]B:401 |
x,y,z |
1_555 |
1 |
1 |
185 |
8.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.005 |
|