| ## |
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 |
110 |
30 |
17516 |
◊ |
A |
x,y,z |
1_555 |
113 |
29 |
17391 |
1112.9 |
-7.1 |
0.292 |
23 |
3 |
0 |
1.000 |
| 2 |
2 |
|
A |
86 |
26 |
17391 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
74 |
19 |
17516 |
695.0 |
-0.3 |
0.613 |
6 |
0 |
0 |
0.000 |
| 3 |
3 |
|
Y |
45 |
10 |
1313 |
◊ |
B |
x,y,z |
1_555 |
74 |
23 |
17516 |
651.5 |
-13.5 |
0.327 |
2 |
0 |
0 |
1.000 |
4 |
|
X |
48 |
10 |
1311 |
◊ |
A |
x,y,z |
1_555 |
72 |
20 |
17391 |
614.3 |
-12.1 |
0.419 |
2 |
0 |
0 |
1.000 |
| Average: |
632.9 |
-12.8 |
0.373 |
2 |
0 |
0 |
1.000 |
| 4 |
5 |
|
B |
49 |
18 |
17516 |
x |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
37 |
12 |
17516 |
370.9 |
-2.3 |
0.289 |
4 |
0 |
0 |
0.000 |
| 5 |
6 |
|
A |
38 |
14 |
17391 |
◊ |
Y |
x-1/2,-y+1/2,-z |
4_455 |
31 |
9 |
1313 |
343.5 |
-7.9 |
0.288 |
0 |
0 |
0 |
1.000 |
| 6 |
7 |
|
B |
29 |
11 |
17516 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
27 |
8 |
17391 |
220.1 |
0.6 |
0.652 |
3 |
0 |
0 |
0.000 |
| 7 |
8 |
|
A |
20 |
5 |
17391 |
◊ |
B |
x-1,y,z |
1_455 |
25 |
8 |
17516 |
211.7 |
-0.3 |
0.522 |
2 |
1 |
0 |
0.000 |
| 8 |
9 |
|
A |
20 |
8 |
17391 |
◊ |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
17 |
5 |
17516 |
179.5 |
-1.7 |
0.328 |
1 |
0 |
0 |
0.000 |
| 9 |
10 |
|
A |
20 |
11 |
17391 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
20 |
9 |
17391 |
139.2 |
-1.6 |
0.354 |
0 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[EDO]B:501 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
26 |
11 |
17516 |
121.6 |
4.0 |
0.674 |
3 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[EDO]A:503 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
17391 |
121.0 |
4.4 |
0.721 |
5 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[EDO]A:504 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
17391 |
112.6 |
3.6 |
0.461 |
3 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[EDO]A:502 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
17391 |
104.2 |
3.7 |
0.480 |
1 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[EDO]A:505 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
17391 |
82.9 |
2.3 |
0.261 |
2 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[IOD]B:502 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
17516 |
78.7 |
-0.3 |
0.630 |
0 |
0 |
0 |
0.106 |
17 |
|
[IOD]A:508 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
17391 |
75.6 |
-0.4 |
0.613 |
0 |
0 |
0 |
0.106 |
| Average: |
77.1 |
-0.4 |
0.622 |
0 |
0 |
0 |
0.106 |
| 16 |
18 |
|
[IOD]A:512 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
17391 |
78.6 |
-0.5 |
0.609 |
0 |
0 |
0 |
0.121 |
| 17 |
19 |
|
[IOD]A:506 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
17391 |
75.6 |
-0.0 |
0.698 |
0 |
0 |
0 |
0.005 |
20 |
|
[IOD]B:505 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
17516 |
74.7 |
-0.1 |
0.684 |
0 |
0 |
0 |
0.005 |
| Average: |
75.2 |
-0.1 |
0.691 |
0 |
0 |
0 |
0.005 |
| 18 |
21 |
|
[EDO]A:501 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
17391 |
73.0 |
1.6 |
0.719 |
2 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[IOD]A:511 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
17391 |
70.3 |
0.1 |
0.738 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[IOD]B:503 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
17516 |
68.4 |
-0.4 |
0.599 |
0 |
0 |
0 |
0.040 |
| 21 |
24 |
|
[IOD]B:504 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
17516 |
67.6 |
-0.2 |
0.638 |
0 |
0 |
0 |
0.065 |
25 |
|
[IOD]A:510 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
17391 |
67.2 |
-0.3 |
0.634 |
0 |
0 |
0 |
0.065 |
| Average: |
67.4 |
-0.3 |
0.636 |
0 |
0 |
0 |
0.065 |
| 22 |
26 |
|
[IOD]A:509 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
17391 |
64.0 |
-0.4 |
0.595 |
0 |
0 |
0 |
0.110 |
| 23 |
27 |
|
[ACE]X:1 |
3 |
1 |
170 |
cf |
X |
x,y,z |
1_555 |
5 |
2 |
1311 |
62.0 |
-1.1 |
0.813 |
0 |
0 |
0 |
0.113 |
| 24 |
28 |
|
[ACE]Y:1 |
3 |
1 |
172 |
cf |
Y |
x,y,z |
1_555 |
5 |
2 |
1313 |
58.2 |
-1.1 |
0.806 |
0 |
0 |
0 |
0.259 |
| 25 |
29 |
|
B |
7 |
3 |
17516 |
◊ |
[IOD]B:503 |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
144 |
56.9 |
-0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
| 26 |
30 |
|
[ACE]X:1 |
3 |
1 |
170 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
17391 |
56.1 |
-0.5 |
0.569 |
1 |
0 |
0 |
0.102 |
| 27 |
31 |
|
[IOD]A:507 |
1 |
1 |
144 |
f |
X |
x,y,z |
1_555 |
6 |
2 |
1311 |
52.6 |
-0.4 |
0.947 |
0 |
0 |
0 |
0.045 |
| 28 |
32 |
|
[IOD]A:509 |
1 |
1 |
144 |
f |
Y |
x-1/2,-y+1/2,-z |
4_455 |
8 |
4 |
1313 |
50.8 |
-0.6 |
0.967 |
0 |
0 |
0 |
0.139 |
| 29 |
33 |
|
[ACE]Y:1 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
17516 |
50.6 |
-0.6 |
0.543 |
1 |
0 |
0 |
0.064 |
| 30 |
34 |
|
A |
9 |
4 |
17391 |
◊ |
[ACE]Y:1 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
172 |
50.0 |
-0.5 |
0.689 |
0 |
0 |
0 |
0.113 |
| 31 |
35 |
|
[IOD]A:507 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
17391 |
39.9 |
0.4 |
0.885 |
0 |
0 |
0 |
0.000 |
| 32 |
36 |
|
[IOD]A:512 |
1 |
1 |
144 |
◊ |
X |
x,y,z |
1_555 |
4 |
2 |
1311 |
30.9 |
-0.4 |
0.905 |
0 |
0 |
0 |
0.038 |
| 33 |
37 |
|
[ACE]X:1 |
2 |
1 |
170 |
f |
[IOD]A:507 |
x,y,z |
1_555 |
1 |
1 |
144 |
29.6 |
-0.4 |
0.943 |
0 |
0 |
0 |
0.039 |
| 34 |
38 |
|
[IOD]A:506 |
1 |
1 |
144 |
f |
X |
x,y,z |
1_555 |
2 |
1 |
1311 |
25.5 |
-0.3 |
0.761 |
0 |
0 |
0 |
0.083 |
39 |
|
[IOD]B:505 |
1 |
1 |
144 |
f |
Y |
x,y,z |
1_555 |
2 |
1 |
1313 |
24.4 |
-0.3 |
0.757 |
0 |
0 |
0 |
0.083 |
| Average: |
25.0 |
-0.3 |
0.759 |
0 |
0 |
0 |
0.083 |
| 35 |
40 |
|
A |
1 |
1 |
17391 |
◊ |
[IOD]B:505 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
144 |
14.1 |
0.2 |
0.928 |
0 |
0 |
0 |
0.000 |
| 36 |
41 |
|
A |
1 |
1 |
17391 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
17391 |
5.7 |
-0.0 |
0.471 |
0 |
0 |
0 |
0.000 |
| 37 |
42 |
|
A |
1 |
1 |
17391 |
f |
[EDO]A:504 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
185 |
3.3 |
0.1 |
0.860 |
0 |
0 |
0 |
0.000 |
| 38 |
43 |
|
[IOD]A:511 |
1 |
1 |
144 |
f |
[IOD]A:506 |
x,y,z |
1_555 |
1 |
1 |
144 |
0.5 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
| 39 |
44 |
|
[IOD]A:510 |
1 |
1 |
144 |
f |
[EDO]A:505 |
x,y,z |
1_555 |
1 |
1 |
185 |
0.3 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|