| ## |
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 |
83 |
22 |
14917 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
88 |
26 |
14800 |
834.7 |
-2.1 |
0.654 |
13 |
5 |
0 |
0.000 |
2 |
|
B |
87 |
26 |
14917 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
71 |
21 |
14800 |
730.0 |
-4.0 |
0.456 |
10 |
5 |
0 |
0.000 |
| Average: |
782.3 |
-3.1 |
0.555 |
12 |
5 |
0 |
0.000 |
| 2 |
3 |
|
B |
58 |
21 |
14917 |
◊ |
A |
x,y,z |
1_555 |
58 |
22 |
14800 |
413.7 |
-0.3 |
0.705 |
2 |
0 |
0 |
0.000 |
| 3 |
4 |
|
B |
25 |
9 |
14917 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
26 |
11 |
14800 |
216.4 |
-0.4 |
0.569 |
3 |
0 |
0 |
0.000 |
| 4 |
5 |
|
[EDO]A:314 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
11 |
14800 |
116.2 |
2.3 |
0.336 |
1 |
0 |
0 |
0.000 |
6 |
|
[EDO]B:315 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
14917 |
114.3 |
2.5 |
0.374 |
0 |
0 |
0 |
0.000 |
| Average: |
115.3 |
2.4 |
0.355 |
1 |
0 |
0 |
0.000 |
| 5 |
7 |
|
[EDO]B:312 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
14917 |
111.7 |
3.4 |
0.533 |
3 |
0 |
0 |
0.000 |
| 6 |
8 |
|
[EDO]B:317 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
14917 |
104.4 |
2.9 |
0.404 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[EDO]A:321 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
14800 |
104.2 |
3.1 |
0.518 |
2 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[EDO]B:331 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
14917 |
104.0 |
3.9 |
0.529 |
4 |
0 |
0 |
0.000 |
| 9 |
11 |
|
B |
18 |
6 |
14917 |
◊ |
[EDO]A:324 |
-x+3/2,-y+1,z-1/2 |
2_664 |
4 |
1 |
185 |
104.0 |
2.8 |
0.488 |
1 |
0 |
0 |
0.000 |
| 10 |
12 |
|
B |
10 |
5 |
14917 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
10 |
5 |
14800 |
103.7 |
-2.1 |
0.199 |
0 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[EDO]A:318 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
14800 |
100.0 |
3.4 |
0.548 |
1 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[EDO]B:325 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
14917 |
99.7 |
2.9 |
0.451 |
4 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[EDO]A:330 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
14800 |
99.7 |
2.6 |
0.435 |
3 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[EDO]B:319 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
14917 |
95.8 |
2.7 |
0.397 |
2 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[EDO]A:322 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
14800 |
91.4 |
2.6 |
0.317 |
4 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[EDO]A:326 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
14800 |
90.3 |
1.8 |
0.251 |
2 |
0 |
0 |
0.000 |
| 17 |
19 |
|
[EDO]B:327 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
14917 |
89.5 |
1.8 |
0.252 |
2 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[EDO]A:323 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
14800 |
88.8 |
1.9 |
0.243 |
3 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[EDO]A:328 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
14800 |
85.2 |
2.1 |
0.347 |
2 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[EDO]A:320 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
14800 |
85.2 |
2.5 |
0.298 |
3 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[EDO]B:313 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
14917 |
78.7 |
2.2 |
0.294 |
3 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[EDO]B:329 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
14917 |
75.3 |
2.3 |
0.945 |
2 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[EDO]B:316 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
14917 |
68.2 |
1.5 |
0.701 |
1 |
0 |
0 |
0.000 |
| 24 |
26 |
|
B |
9 |
3 |
14917 |
◊ |
[EDO]B:316 |
x-1,y,z |
1_455 |
3 |
1 |
184 |
65.2 |
1.5 |
0.247 |
1 |
0 |
0 |
0.000 |
| 25 |
27 |
|
[EDO]B:329 |
3 |
1 |
185 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
10 |
2 |
14800 |
51.8 |
1.4 |
0.284 |
0 |
0 |
0 |
0.000 |
| 26 |
28 |
|
B |
7 |
3 |
14917 |
◊ |
[EDO]A:328 |
x-1/2,-y+3/2,-z |
4_465 |
3 |
1 |
184 |
51.4 |
1.1 |
0.688 |
1 |
0 |
0 |
0.000 |
| 27 |
29 |
|
A |
7 |
4 |
14800 |
x |
A |
x-1,y,z |
1_455 |
6 |
3 |
14800 |
48.5 |
-1.5 |
0.216 |
0 |
0 |
0 |
0.000 |
30 |
|
B |
6 |
4 |
14917 |
x |
B |
x-1,y,z |
1_455 |
6 |
4 |
14917 |
48.3 |
-1.5 |
0.191 |
0 |
0 |
0 |
0.000 |
| Average: |
48.4 |
-1.5 |
0.204 |
0 |
0 |
0 |
0.000 |
| 28 |
31 |
|
[EDO]A:324 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
14800 |
48.0 |
0.6 |
0.764 |
1 |
0 |
0 |
0.000 |
| 29 |
32 |
|
[CL]A:332 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
14800 |
47.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
|
[CL]A:332 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
14917 |
46.3 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
46.7 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 30 |
34 |
|
[EDO]A:320 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
14917 |
46.9 |
1.8 |
0.922 |
0 |
0 |
0 |
0.000 |
35 |
|
[EDO]B:313 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
14800 |
42.4 |
1.6 |
0.934 |
0 |
0 |
0 |
0.000 |
| Average: |
44.6 |
1.7 |
0.928 |
0 |
0 |
0 |
0.000 |
| 31 |
36 |
|
B |
6 |
3 |
14917 |
◊ |
[EDO]A:318 |
x-1/2,-y+3/2,-z |
4_465 |
3 |
1 |
185 |
38.7 |
1.1 |
0.838 |
0 |
0 |
0 |
0.000 |
| 32 |
37 |
|
[EDO]B:329 |
3 |
1 |
185 |
◊ |
[EDO]B:312 |
x,y,z |
1_555 |
4 |
1 |
186 |
34.9 |
1.1 |
1.000 |
2 |
0 |
0 |
0.000 |
| 33 |
38 |
|
[EDO]B:319 |
2 |
1 |
185 |
f |
[EDO]B:313 |
x,y,z |
1_555 |
3 |
1 |
183 |
26.6 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
| 34 |
39 |
|
[EDO]B:331 |
2 |
1 |
185 |
f |
[EDO]B:313 |
x,y,z |
1_555 |
2 |
1 |
183 |
20.4 |
0.5 |
1.000 |
1 |
0 |
0 |
0.000 |
| 35 |
40 |
|
[EDO]B:327 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
14800 |
6.0 |
0.1 |
0.550 |
0 |
0 |
0 |
0.000 |
| 36 |
41 |
|
[EDO]A:326 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
14917 |
5.3 |
0.1 |
0.574 |
0 |
0 |
0 |
0.000 |
| 37 |
42 |
|
[EDO]A:328 |
1 |
1 |
184 |
f |
[EDO]A:318 |
x,y,z |
1_555 |
1 |
1 |
185 |
2.2 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
| 38 |
43 |
|
[EDO]B:331 |
1 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
14800 |
1.2 |
0.0 |
0.848 |
0 |
0 |
0 |
0.000 |
| 39 |
44 |
|
[EDO]B:312 |
1 |
1 |
186 |
f |
A |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
14800 |
0.8 |
-0.0 |
0.713 |
0 |
0 |
0 |
0.000 |
|