| ## |
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 |
104 |
32 |
14083 |
◊ |
A |
x,y,z |
1_555 |
106 |
34 |
13971 |
889.7 |
-9.9 |
0.333 |
5 |
0 |
0 |
0.004 |
| 2 |
2 |
|
C |
33 |
4 |
1056 |
◊ |
A |
x,y,z |
1_555 |
65 |
26 |
13971 |
403.1 |
-4.7 |
0.342 |
5 |
2 |
0 |
0.046 |
3 |
|
D |
32 |
4 |
1054 |
◊ |
B |
x,y,z |
1_555 |
67 |
27 |
14083 |
399.5 |
-4.9 |
0.370 |
4 |
2 |
0 |
0.046 |
| Average: |
401.3 |
-4.8 |
0.356 |
5 |
2 |
0 |
0.046 |
| 3 |
4 |
|
B |
39 |
11 |
14083 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
45 |
13 |
13971 |
371.8 |
0.5 |
0.649 |
5 |
3 |
0 |
0.000 |
| 4 |
5 |
|
A |
44 |
12 |
13971 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
39 |
8 |
14083 |
369.6 |
-0.4 |
0.747 |
4 |
1 |
0 |
0.000 |
| 5 |
6 |
|
B |
37 |
9 |
14083 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
33 |
9 |
13971 |
344.9 |
-0.9 |
0.502 |
4 |
4 |
0 |
0.000 |
| 6 |
7 |
|
B |
28 |
8 |
14083 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
23 |
5 |
13971 |
222.1 |
-0.1 |
0.727 |
2 |
0 |
0 |
0.000 |
| 7 |
8 |
|
A |
21 |
6 |
13971 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
21 |
6 |
13971 |
179.4 |
0.7 |
0.677 |
0 |
1 |
0 |
0.000 |
| 8 |
9 |
|
C |
12 |
2 |
1056 |
◊ |
B |
x,y,z |
1_555 |
25 |
9 |
14083 |
155.0 |
-1.9 |
0.474 |
2 |
0 |
0 |
0.000 |
10 |
|
D |
13 |
2 |
1054 |
◊ |
A |
x,y,z |
1_555 |
23 |
9 |
13971 |
150.0 |
-1.8 |
0.496 |
2 |
0 |
0 |
0.000 |
| Average: |
152.5 |
-1.8 |
0.485 |
2 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[K]B:402 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
14 |
9 |
14083 |
112.9 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.687 |
12 |
|
[K]A:402 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
13971 |
111.5 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.687 |
| Average: |
112.2 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.687 |
| 10 |
13 |
|
[MCM]D:6 |
13 |
1 |
337 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
14083 |
106.8 |
2.0 |
0.040 |
3 |
0 |
0 |
0.000 |
14 |
|
[MCM]C:6 |
13 |
1 |
334 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
13971 |
104.4 |
1.8 |
0.033 |
2 |
0 |
0 |
0.000 |
| Average: |
105.6 |
1.9 |
0.036 |
3 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[MCM]D:6 |
12 |
1 |
337 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
13971 |
105.0 |
1.9 |
0.102 |
0 |
0 |
0 |
0.000 |
16 |
|
[MCM]C:6 |
12 |
1 |
334 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
14083 |
104.2 |
2.0 |
0.126 |
0 |
0 |
0 |
0.000 |
| Average: |
104.6 |
1.9 |
0.114 |
0 |
0 |
0 |
0.000 |
| 12 |
17 |
|
[GOL]A:403 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
13971 |
103.1 |
-0.2 |
0.501 |
1 |
0 |
0 |
0.004 |
| 13 |
18 |
|
[GOL]D:101 |
6 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
14083 |
101.3 |
-0.1 |
0.626 |
1 |
0 |
0 |
0.004 |
| 14 |
19 |
|
[GOL]B:404 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
14083 |
92.4 |
-1.2 |
0.419 |
0 |
0 |
0 |
0.008 |
| 15 |
20 |
|
[GOL]B:403 |
5 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
13 |
3 |
1056 |
76.5 |
-0.4 |
0.534 |
2 |
0 |
0 |
0.040 |
| 16 |
21 |
|
[ACE]D:1 |
3 |
1 |
170 |
cf |
D |
x,y,z |
1_555 |
6 |
2 |
1054 |
67.3 |
-0.4 |
0.779 |
2 |
0 |
0 |
0.059 |
| 17 |
22 |
|
[ACE]C:1 |
3 |
1 |
170 |
cf |
C |
x,y,z |
1_555 |
6 |
2 |
1056 |
65.3 |
-0.3 |
0.775 |
2 |
0 |
0 |
0.037 |
| 18 |
23 |
|
[GOL]D:101 |
5 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
9 |
2 |
1054 |
62.7 |
-0.3 |
0.560 |
2 |
0 |
0 |
0.055 |
| 19 |
24 |
|
[GOL]B:403 |
6 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
9 |
6 |
14083 |
59.2 |
0.2 |
0.619 |
2 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[MCM]D:6 |
12 |
1 |
337 |
◊ |
[MCM]C:6 |
x,y,z |
1_555 |
12 |
1 |
334 |
58.4 |
3.4 |
0.001 |
0 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[GOL]A:403 |
5 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
10 |
2 |
1056 |
57.4 |
0.1 |
0.639 |
2 |
0 |
0 |
0.025 |
| 22 |
27 |
|
[MCM]C:6 |
4 |
1 |
334 |
cf |
C |
x,y,z |
1_555 |
7 |
2 |
1056 |
45.3 |
0.3 |
0.200 |
0 |
0 |
0 |
0.000 |
28 |
|
[MCM]D:6 |
3 |
1 |
337 |
cf |
D |
x,y,z |
1_555 |
6 |
2 |
1054 |
45.3 |
0.3 |
0.322 |
0 |
0 |
0 |
0.000 |
| Average: |
45.3 |
0.3 |
0.261 |
0 |
0 |
0 |
0.000 |
| 23 |
29 |
|
B |
5 |
3 |
14083 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
5 |
3 |
14083 |
42.5 |
1.3 |
0.855 |
0 |
1 |
0 |
0.000 |
| 24 |
30 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
13971 |
38.4 |
-27.6 |
0.000 |
0 |
0 |
0 |
0.176 |
31 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
14083 |
38.0 |
-27.7 |
0.000 |
0 |
0 |
0 |
0.176 |
| Average: |
38.2 |
-27.7 |
0.000 |
0 |
0 |
0 |
0.176 |
| 25 |
32 |
|
[ACE]D:1 |
3 |
1 |
170 |
f |
[GOL]D:101 |
x,y,z |
1_555 |
5 |
1 |
217 |
29.3 |
-0.0 |
0.686 |
0 |
0 |
0 |
0.000 |
| 26 |
33 |
|
[ZN]B:401 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
1054 |
26.0 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.074 |
34 |
|
[ZN]A:401 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
1056 |
25.8 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.074 |
| Average: |
25.9 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.074 |
| 27 |
35 |
|
[ACE]C:1 |
2 |
1 |
170 |
f |
[GOL]A:403 |
x,y,z |
1_555 |
3 |
1 |
219 |
25.4 |
0.3 |
0.745 |
1 |
0 |
0 |
0.006 |
| 28 |
36 |
|
[GOL]B:403 |
4 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13971 |
23.7 |
-0.3 |
0.465 |
0 |
0 |
0 |
0.002 |
| 29 |
37 |
|
[ACE]D:1 |
1 |
1 |
170 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14083 |
11.7 |
0.3 |
0.764 |
0 |
0 |
0 |
0.000 |
| 30 |
38 |
|
[ACE]C:1 |
2 |
1 |
170 |
f |
[GOL]B:403 |
x,y,z |
1_555 |
1 |
1 |
219 |
11.4 |
-0.0 |
0.667 |
0 |
0 |
0 |
0.001 |
| 31 |
39 |
|
[ACE]C:1 |
1 |
1 |
170 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13971 |
11.2 |
0.3 |
0.764 |
0 |
0 |
0 |
0.000 |
| 32 |
40 |
|
[MCM]D:6 |
1 |
1 |
337 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
1056 |
10.6 |
0.3 |
0.576 |
0 |
0 |
0 |
0.000 |
41 |
|
[MCM]C:6 |
1 |
1 |
334 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
1054 |
10.3 |
0.3 |
0.579 |
0 |
0 |
0 |
0.000 |
| Average: |
10.5 |
0.3 |
0.578 |
0 |
0 |
0 |
0.000 |
| 33 |
42 |
|
[ACE]C:1 |
1 |
1 |
170 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14083 |
7.4 |
-0.2 |
0.570 |
0 |
0 |
0 |
0.000 |
|