| ## |
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 |
149 |
36 |
14080 |
◊ |
A |
x,y,z |
1_555 |
150 |
37 |
14098 |
1286.9 |
-6.6 |
0.392 |
16 |
12 |
0 |
0.051 |
| 2 |
2 |
|
B |
36 |
12 |
14080 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
36 |
11 |
14098 |
369.8 |
1.8 |
0.763 |
4 |
6 |
0 |
0.000 |
| 3 |
3 |
|
A |
34 |
10 |
14098 |
◊ |
B |
x,y,z-1 |
1_554 |
40 |
13 |
14080 |
296.7 |
0.7 |
0.570 |
3 |
2 |
0 |
0.000 |
| 4 |
4 |
|
A |
33 |
9 |
14098 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
7 |
14080 |
240.0 |
-1.8 |
0.407 |
2 |
0 |
0 |
0.000 |
| 5 |
5 |
|
A |
16 |
4 |
14098 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
28 |
9 |
14080 |
179.8 |
0.8 |
0.693 |
2 |
0 |
0 |
0.000 |
| 6 |
6 |
|
A |
17 |
4 |
14098 |
◊ |
B |
x-1,y,z-1 |
1_454 |
24 |
9 |
14080 |
174.2 |
-2.3 |
0.272 |
0 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[EDO]B:403 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
25 |
9 |
14080 |
131.8 |
3.4 |
0.464 |
2 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[EDO]A:403 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
25 |
9 |
14098 |
130.1 |
3.6 |
0.471 |
2 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[EDO]A:402 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
14098 |
89.1 |
2.6 |
0.405 |
0 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[EDO]B:402 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
14080 |
88.4 |
2.6 |
0.420 |
0 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[EDO]A:405 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
14098 |
77.4 |
2.6 |
0.318 |
2 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[EDO]B:401 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
14080 |
74.5 |
2.6 |
0.314 |
1 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[EDO]B:401 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
17 |
3 |
14098 |
74.0 |
1.8 |
0.230 |
1 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[EDO]A:405 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
3 |
14080 |
71.3 |
2.0 |
0.239 |
1 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[CL]B:404 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
14080 |
67.4 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.182 |
16 |
|
[CL]A:404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
14098 |
66.0 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.182 |
| Average: |
66.7 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.182 |
| 16 |
17 |
|
B |
5 |
4 |
14080 |
x |
B |
-x+2,y-1/2,-z+2 |
2_747 |
7 |
3 |
14080 |
48.5 |
0.0 |
0.551 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[MG]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
14098 |
39.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.037 |
| 18 |
19 |
|
[CL]A:404 |
1 |
1 |
125 |
f |
[EDO]A:403 |
x,y,z |
1_555 |
2 |
1 |
184 |
28.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.039 |
20 |
|
[CL]B:404 |
1 |
1 |
125 |
f |
[EDO]B:403 |
x,y,z |
1_555 |
2 |
1 |
184 |
27.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.039 |
| Average: |
28.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.039 |
| 19 |
21 |
|
[MG]A:401 |
1 |
1 |
98 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
2 |
14080 |
17.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 20 |
22 |
|
A |
2 |
1 |
14098 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
14098 |
13.5 |
-0.4 |
0.189 |
0 |
0 |
0 |
0.000 |
| 21 |
23 |
|
A |
1 |
1 |
14098 |
x |
A |
x-1,y,z |
1_455 |
1 |
1 |
14098 |
7.9 |
0.2 |
0.818 |
0 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[EDO]B:401 |
2 |
1 |
185 |
f |
A |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
2 |
14098 |
3.8 |
-0.0 |
0.690 |
0 |
0 |
0 |
0.000 |
|