| ## |
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 |
126 |
41 |
14154 |
◊ |
A |
x,y,z |
1_555 |
130 |
42 |
14575 |
1284.3 |
-7.4 |
0.408 |
21 |
9 |
0 |
0.000 |
2 |
|
A |
74 |
23 |
14575 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
80 |
24 |
14154 |
657.3 |
-2.6 |
0.573 |
1 |
6 |
0 |
0.000 |
3 |
|
A |
55 |
16 |
14575 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
70 |
23 |
14154 |
560.9 |
-1.3 |
0.647 |
4 |
0 |
0 |
0.000 |
4 |
|
A |
60 |
13 |
14575 |
x |
A |
x-1,y,z |
1_455 |
47 |
10 |
14575 |
451.3 |
0.6 |
0.757 |
4 |
2 |
0 |
0.000 |
5 |
|
A |
32 |
11 |
14575 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
36 |
14 |
14154 |
292.3 |
1.1 |
0.770 |
4 |
0 |
0 |
0.000 |
6 |
|
B |
17 |
5 |
14154 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
21 |
9 |
14575 |
180.2 |
0.7 |
0.672 |
1 |
4 |
0 |
0.000 |
7 |
|
[EDO]A:407 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
14575 |
115.9 |
2.1 |
0.262 |
1 |
0 |
0 |
0.000 |
8 |
|
[EDO]A:402 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
19 |
8 |
14575 |
114.3 |
4.0 |
0.517 |
1 |
0 |
0 |
0.000 |
9 |
|
[EDO]B:404 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
14154 |
113.0 |
2.9 |
0.473 |
0 |
0 |
0 |
0.000 |
10 |
|
[EDO]B:402 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
14154 |
110.3 |
2.0 |
0.250 |
0 |
0 |
0 |
0.000 |
11 |
|
[EDO]A:401 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
20 |
11 |
14575 |
106.8 |
3.1 |
0.476 |
0 |
0 |
0 |
0.000 |
12 |
|
B |
11 |
3 |
14154 |
x |
B |
-x-1/2,-y,z-1/2 |
2_454 |
10 |
4 |
14154 |
98.9 |
0.7 |
0.676 |
0 |
0 |
0 |
0.000 |
13 |
|
[EDO]A:406 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
14575 |
96.7 |
2.4 |
0.365 |
1 |
0 |
0 |
0.000 |
14 |
|
[EDO]A:409 |
4 |
1 |
181 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
14154 |
89.5 |
2.2 |
0.253 |
0 |
0 |
0 |
0.000 |
15 |
|
[EDO]A:403 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
14575 |
83.5 |
2.9 |
0.297 |
1 |
0 |
0 |
0.000 |
16 |
|
[EDO]A:405 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
14575 |
78.0 |
2.7 |
0.290 |
0 |
0 |
0 |
0.000 |
17 |
|
[EDO]B:401 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
14154 |
75.9 |
2.4 |
0.474 |
0 |
0 |
0 |
0.000 |
18 |
|
[EDO]B:401 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
14575 |
73.3 |
1.8 |
0.274 |
2 |
0 |
0 |
0.000 |
19 |
|
A |
12 |
5 |
14575 |
◊ |
[EDO]B:405 |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
1 |
182 |
68.3 |
2.5 |
0.291 |
0 |
0 |
0 |
0.000 |
20 |
|
[EDO]A:408 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
14575 |
66.3 |
1.8 |
0.821 |
1 |
0 |
0 |
0.000 |
21 |
|
[EDO]B:405 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
14154 |
62.4 |
0.8 |
0.625 |
0 |
0 |
0 |
0.000 |
22 |
|
[EDO]A:404 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
14575 |
62.2 |
1.9 |
0.816 |
0 |
0 |
0 |
0.000 |
23 |
|
[EDO]A:408 |
4 |
1 |
184 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
11 |
4 |
14154 |
59.1 |
1.9 |
0.851 |
0 |
0 |
0 |
0.000 |
24 |
|
[EDO]B:403 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
14154 |
56.8 |
2.0 |
0.929 |
1 |
0 |
0 |
0.000 |
25 |
|
[CL]A:410 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
14575 |
53.9 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
|
A |
8 |
4 |
14575 |
◊ |
[EDO]B:403 |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
185 |
50.0 |
1.2 |
0.275 |
1 |
0 |
0 |
0.000 |
27 |
|
A |
8 |
3 |
14575 |
◊ |
[EDO]B:403 |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
185 |
49.3 |
1.0 |
0.741 |
0 |
0 |
0 |
0.000 |
28 |
|
[EDO]A:404 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
14154 |
49.2 |
1.6 |
0.285 |
0 |
0 |
0 |
0.000 |
29 |
|
B |
8 |
3 |
14154 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
14154 |
48.3 |
-0.2 |
0.562 |
0 |
0 |
0 |
0.000 |
30 |
|
[CL]A:410 |
1 |
1 |
125 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
7 |
3 |
14154 |
46.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
|
[EDO]A:409 |
2 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
14575 |
37.5 |
1.1 |
0.879 |
0 |
0 |
0 |
0.000 |
32 |
|
[EDO]A:403 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
14154 |
35.8 |
0.7 |
0.648 |
0 |
0 |
0 |
0.000 |
33 |
|
[EDO]A:404 |
2 |
1 |
184 |
f |
[EDO]A:403 |
x,y,z |
1_555 |
2 |
1 |
185 |
29.7 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
34 |
|
[EDO]A:402 |
2 |
1 |
185 |
f |
[EDO]A:401 |
x,y,z |
1_555 |
1 |
1 |
183 |
25.4 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
35 |
|
A |
3 |
1 |
14575 |
◊ |
[EDO]A:408 |
x-1,y,z |
1_455 |
2 |
1 |
184 |
18.3 |
0.8 |
0.946 |
0 |
0 |
0 |
0.000 |
36 |
|
[EDO]A:408 |
2 |
1 |
184 |
f |
[EDO]B:403 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
185 |
14.9 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
37 |
|
[EDO]A:403 |
1 |
1 |
185 |
f |
[EDO]A:401 |
x,y,z |
1_555 |
1 |
1 |
183 |
5.8 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
|