| ## |
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 |
105 |
33 |
14455 |
◊ |
A |
x,y,z |
1_555 |
112 |
35 |
14263 |
899.9 |
-9.9 |
0.230 |
7 |
0 |
0 |
0.005 |
| 2 |
2 |
|
C |
36 |
4 |
1075 |
◊ |
A |
x,y,z |
1_555 |
64 |
27 |
14263 |
416.8 |
-4.5 |
0.295 |
7 |
2 |
0 |
0.050 |
3 |
|
D |
34 |
4 |
1074 |
◊ |
B |
x,y,z |
1_555 |
66 |
27 |
14455 |
416.1 |
-4.4 |
0.306 |
5 |
3 |
0 |
0.050 |
| Average: |
416.4 |
-4.5 |
0.301 |
6 |
3 |
0 |
0.050 |
| 3 |
4 |
|
B |
38 |
9 |
14455 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
38 |
11 |
14263 |
384.0 |
-0.1 |
0.540 |
7 |
6 |
0 |
0.000 |
| 4 |
5 |
|
B |
37 |
10 |
14455 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
44 |
11 |
14263 |
358.8 |
0.3 |
0.527 |
5 |
3 |
0 |
0.000 |
| 5 |
6 |
|
A |
37 |
11 |
14263 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
38 |
8 |
14455 |
348.3 |
-1.9 |
0.498 |
4 |
1 |
0 |
0.000 |
| 6 |
7 |
|
B |
31 |
8 |
14455 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
24 |
6 |
14263 |
234.7 |
-0.5 |
0.617 |
1 |
0 |
0 |
0.000 |
| 7 |
8 |
|
A |
18 |
6 |
14263 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
15 |
6 |
14263 |
173.5 |
2.8 |
0.865 |
3 |
6 |
0 |
0.000 |
| 8 |
9 |
|
C |
11 |
2 |
1075 |
◊ |
B |
x,y,z |
1_555 |
24 |
10 |
14455 |
153.9 |
-2.0 |
0.422 |
2 |
0 |
0 |
0.000 |
10 |
|
D |
11 |
2 |
1074 |
◊ |
A |
x,y,z |
1_555 |
23 |
9 |
14263 |
149.6 |
-1.8 |
0.431 |
2 |
0 |
0 |
0.000 |
| Average: |
151.7 |
-1.9 |
0.426 |
2 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[K]A:402 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
9 |
14263 |
114.1 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.689 |
12 |
|
[K]B:402 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
14455 |
113.8 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.689 |
| Average: |
114.0 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.689 |
| 10 |
13 |
|
[GOL]B:403 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
14455 |
113.5 |
-0.9 |
0.478 |
2 |
0 |
0 |
0.011 |
| 11 |
14 |
|
[MCM]C:6 |
13 |
1 |
334 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
14263 |
106.2 |
1.8 |
0.037 |
2 |
0 |
0 |
0.000 |
15 |
|
[MCM]D:6 |
13 |
1 |
335 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
14455 |
104.2 |
1.9 |
0.032 |
3 |
0 |
0 |
0.000 |
| Average: |
105.2 |
1.8 |
0.034 |
3 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[MCM]D:6 |
12 |
1 |
335 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
14263 |
106.1 |
1.7 |
0.087 |
0 |
0 |
0 |
0.000 |
17 |
|
[MCM]C:6 |
12 |
1 |
334 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
14455 |
105.9 |
2.0 |
0.105 |
0 |
0 |
0 |
0.000 |
| Average: |
106.0 |
1.8 |
0.096 |
0 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[GOL]A:403 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
14263 |
102.5 |
-0.1 |
0.497 |
2 |
0 |
0 |
0.006 |
| 14 |
19 |
|
[GOL]D:101 |
6 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
14455 |
100.8 |
-0.6 |
0.479 |
0 |
0 |
0 |
0.004 |
| 15 |
20 |
|
[ACE]D:1 |
3 |
1 |
172 |
cf |
D |
x,y,z |
1_555 |
5 |
2 |
1074 |
65.0 |
-0.1 |
0.789 |
2 |
0 |
0 |
0.145 |
21 |
|
[ACE]C:1 |
3 |
1 |
171 |
cf |
C |
x,y,z |
1_555 |
6 |
2 |
1075 |
64.1 |
-0.1 |
0.787 |
2 |
0 |
0 |
0.145 |
| Average: |
64.5 |
-0.1 |
0.788 |
2 |
0 |
0 |
0.145 |
| 16 |
22 |
|
[GOL]D:101 |
4 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
11 |
2 |
1074 |
62.2 |
-0.1 |
0.633 |
2 |
0 |
0 |
0.053 |
| 17 |
23 |
|
[GOL]A:403 |
5 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
11 |
2 |
1075 |
59.2 |
-0.1 |
0.608 |
2 |
0 |
0 |
0.006 |
| 18 |
24 |
|
[MCM]D:6 |
12 |
1 |
335 |
◊ |
[MCM]C:6 |
x,y,z |
1_555 |
12 |
1 |
334 |
58.9 |
3.4 |
0.001 |
0 |
0 |
0 |
0.000 |
| 19 |
25 |
|
[MCM]D:6 |
4 |
1 |
335 |
cf |
D |
x,y,z |
1_555 |
7 |
2 |
1074 |
44.9 |
0.3 |
0.199 |
0 |
0 |
0 |
0.000 |
26 |
|
[MCM]C:6 |
4 |
1 |
334 |
cf |
C |
x,y,z |
1_555 |
8 |
2 |
1075 |
43.7 |
0.3 |
0.202 |
0 |
0 |
0 |
0.000 |
| Average: |
44.3 |
0.3 |
0.201 |
0 |
0 |
0 |
0.000 |
| 20 |
27 |
|
[GOL]B:403 |
4 |
1 |
217 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
14263 |
44.9 |
0.5 |
0.747 |
1 |
0 |
0 |
0.000 |
| 21 |
28 |
|
[ZN]A:401 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
10 |
6 |
14263 |
37.8 |
-27.8 |
0.000 |
0 |
0 |
0 |
0.177 |
29 |
|
[ZN]B:401 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
9 |
6 |
14455 |
37.7 |
-27.8 |
0.000 |
0 |
0 |
0 |
0.177 |
| Average: |
37.7 |
-27.8 |
0.000 |
0 |
0 |
0 |
0.177 |
| 22 |
30 |
|
B |
4 |
3 |
14455 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
14455 |
26.8 |
0.9 |
0.841 |
0 |
0 |
0 |
0.000 |
| 23 |
31 |
|
[ZN]A:401 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
1075 |
26.3 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.073 |
32 |
|
[ZN]B:401 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
1074 |
26.2 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.073 |
| Average: |
26.3 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.073 |
| 24 |
33 |
|
[ACE]C:1 |
3 |
1 |
171 |
◊ |
[GOL]A:403 |
x,y,z |
1_555 |
3 |
1 |
218 |
26.0 |
0.1 |
0.776 |
1 |
0 |
0 |
0.002 |
| 25 |
34 |
|
[ACE]D:1 |
2 |
1 |
172 |
f |
[GOL]D:101 |
x,y,z |
1_555 |
3 |
1 |
218 |
22.3 |
0.2 |
0.745 |
1 |
0 |
0 |
0.010 |
| 26 |
35 |
|
[MCM]C:6 |
1 |
1 |
334 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
1074 |
11.0 |
0.3 |
0.576 |
0 |
0 |
0 |
0.000 |
36 |
|
[MCM]D:6 |
1 |
1 |
335 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
1075 |
11.0 |
0.3 |
0.565 |
0 |
0 |
0 |
0.000 |
| Average: |
11.0 |
0.3 |
0.570 |
0 |
0 |
0 |
0.000 |
| 27 |
37 |
|
[ACE]C:1 |
1 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14263 |
10.1 |
0.2 |
0.758 |
0 |
0 |
0 |
0.000 |
| 28 |
38 |
|
[ACE]C:1 |
1 |
1 |
171 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14455 |
7.9 |
-0.3 |
0.555 |
0 |
0 |
0 |
0.000 |
| 29 |
39 |
|
[ACE]D:1 |
1 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14455 |
6.6 |
0.2 |
0.742 |
0 |
0 |
0 |
0.000 |
|