| ## |
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 |
|
A |
85 |
26 |
16277 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
71 |
19 |
16888 |
777.8 |
0.3 |
0.974 |
11 |
10 |
0 |
0.000 |
| 2 |
2 |
|
B |
62 |
19 |
16888 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
71 |
17 |
16277 |
574.8 |
-3.8 |
0.882 |
1 |
3 |
0 |
0.000 |
| 3 |
3 |
|
B |
58 |
21 |
16888 |
◊ |
A |
x,y,z |
1_555 |
59 |
20 |
16277 |
550.0 |
-15.7 |
0.039 |
0 |
0 |
0 |
0.153 |
| 4 |
4 |
|
A |
38 |
10 |
16277 |
◊ |
B |
x-1,y,z |
1_455 |
39 |
10 |
16888 |
401.3 |
-9.1 |
0.239 |
0 |
0 |
0 |
0.000 |
| 5 |
5 |
|
[Y01]A:402 |
27 |
1 |
778 |
f |
A |
x,y,z |
1_555 |
49 |
17 |
16277 |
381.8 |
-9.0 |
0.492 |
2 |
0 |
0 |
0.188 |
6 |
|
[Y01]B:402 |
28 |
1 |
777 |
f |
B |
x,y,z |
1_555 |
41 |
14 |
16888 |
362.7 |
-9.0 |
0.378 |
1 |
0 |
0 |
0.188 |
| Average: |
372.3 |
-9.0 |
0.435 |
2 |
0 |
0 |
0.188 |
| 6 |
7 |
|
[Y01]A:401 |
30 |
1 |
777 |
f |
A |
x,y,z |
1_555 |
44 |
15 |
16277 |
375.7 |
-9.9 |
0.455 |
0 |
0 |
0 |
0.188 |
8 |
|
[Y01]B:401 |
31 |
1 |
771 |
f |
B |
x,y,z |
1_555 |
46 |
15 |
16888 |
363.1 |
-9.1 |
0.486 |
1 |
0 |
0 |
0.188 |
| Average: |
369.4 |
-9.5 |
0.471 |
1 |
0 |
0 |
0.188 |
| 7 |
9 |
|
[68H]B:601 |
16 |
1 |
447 |
f |
B |
x,y,z |
1_555 |
45 |
20 |
16888 |
323.4 |
7.6 |
0.516 |
7 |
0 |
0 |
0.000 |
10 |
|
[68H]A:601 |
16 |
1 |
448 |
f |
A |
x,y,z |
1_555 |
44 |
20 |
16277 |
318.6 |
7.7 |
0.502 |
5 |
0 |
0 |
0.000 |
| Average: |
321.0 |
7.6 |
0.509 |
6 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[2CV]B:502 |
15 |
1 |
494 |
f |
B |
x,y,z |
1_555 |
52 |
15 |
16888 |
317.5 |
-3.5 |
0.667 |
1 |
0 |
0 |
0.039 |
| 9 |
12 |
|
[2CV]A:504 |
21 |
1 |
653 |
f |
A |
x,y,z |
1_555 |
38 |
12 |
16277 |
305.4 |
-6.3 |
0.273 |
0 |
0 |
0 |
0.061 |
| 10 |
13 |
|
[2CV]A:501 |
21 |
1 |
652 |
f |
A |
x,y,z |
1_555 |
51 |
14 |
16277 |
298.4 |
-2.4 |
0.585 |
0 |
0 |
0 |
0.024 |
| 11 |
14 |
|
[2CV]B:501 |
19 |
1 |
561 |
f |
B |
x,y,z |
1_555 |
46 |
14 |
16888 |
274.9 |
-2.0 |
0.655 |
3 |
0 |
0 |
0.032 |
| 12 |
15 |
|
[Y01]A:401 |
23 |
1 |
777 |
◊ |
B |
x,y,z |
1_555 |
24 |
9 |
16888 |
222.5 |
-5.6 |
0.359 |
0 |
0 |
0 |
0.109 |
16 |
|
[Y01]B:401 |
23 |
1 |
771 |
◊ |
A |
x,y,z |
1_555 |
24 |
9 |
16277 |
217.4 |
-5.7 |
0.389 |
0 |
0 |
0 |
0.109 |
| Average: |
220.0 |
-5.6 |
0.374 |
0 |
0 |
0 |
0.109 |
| 13 |
17 |
|
[2CV]A:503 |
14 |
1 |
562 |
◊ |
B |
x,y,z |
1_555 |
26 |
9 |
16888 |
212.6 |
-1.6 |
0.614 |
0 |
0 |
0 |
0.015 |
| 14 |
18 |
|
[2CV]B:505 |
15 |
1 |
653 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
16888 |
175.6 |
-2.5 |
0.393 |
0 |
0 |
0 |
0.024 |
| 15 |
19 |
|
[2CV]B:504 |
8 |
1 |
296 |
f |
B |
x,y,z |
1_555 |
26 |
10 |
16888 |
168.9 |
-4.3 |
0.416 |
0 |
0 |
0 |
0.042 |
| 16 |
20 |
|
[2CV]A:502 |
5 |
1 |
244 |
f |
A |
x,y,z |
1_555 |
29 |
11 |
16277 |
167.8 |
1.4 |
0.477 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[2CV]A:503 |
14 |
1 |
562 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
16277 |
157.6 |
-1.2 |
0.609 |
1 |
0 |
0 |
0.016 |
| 18 |
22 |
|
[2CV]A:505 |
13 |
1 |
659 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
16277 |
157.2 |
-1.4 |
0.492 |
0 |
0 |
0 |
0.013 |
| 19 |
23 |
|
[2CV]B:503 |
14 |
1 |
495 |
f |
B |
x,y,z |
1_555 |
20 |
6 |
16888 |
155.9 |
-0.3 |
0.768 |
2 |
0 |
0 |
0.011 |
| 20 |
24 |
|
[2CV]A:501 |
16 |
1 |
652 |
◊ |
B |
x,y,z |
1_555 |
20 |
8 |
16888 |
149.0 |
-1.5 |
0.437 |
0 |
0 |
0 |
0.015 |
| 21 |
25 |
|
[2CV]B:503 |
12 |
1 |
495 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
16277 |
144.3 |
-0.7 |
0.724 |
0 |
0 |
0 |
0.007 |
| 22 |
26 |
|
[2CV]B:501 |
14 |
1 |
561 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
16277 |
137.2 |
-2.0 |
0.444 |
0 |
0 |
0 |
0.019 |
| 23 |
27 |
|
[2CV]B:505 |
13 |
1 |
653 |
◊ |
[2CV]A:501 |
x,y,z |
1_555 |
13 |
1 |
652 |
103.9 |
0.7 |
0.567 |
2 |
0 |
0 |
0.002 |
| 24 |
28 |
|
[2CV]A:503 |
7 |
1 |
562 |
◊ |
[Y01]B:401 |
x,y,z |
1_555 |
10 |
1 |
771 |
76.6 |
-0.6 |
0.749 |
0 |
0 |
0 |
0.006 |
| 25 |
29 |
|
[2CV]A:505 |
10 |
1 |
659 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
16888 |
76.4 |
0.0 |
0.647 |
0 |
0 |
0 |
0.003 |
30 |
|
[2CV]B:505 |
8 |
1 |
653 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
16277 |
73.8 |
0.6 |
0.711 |
2 |
0 |
0 |
0.003 |
| Average: |
75.1 |
0.3 |
0.679 |
1 |
0 |
0 |
0.003 |
| 26 |
31 |
|
[NA]A:701 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
16277 |
73.4 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.111 |
| 27 |
32 |
|
[2CV]B:501 |
9 |
1 |
561 |
◊ |
[2CV]A:505 |
x,y,z |
1_555 |
10 |
1 |
659 |
72.3 |
-0.4 |
0.510 |
0 |
0 |
0 |
0.004 |
| 28 |
33 |
|
[2CV]A:504 |
4 |
1 |
653 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
9 |
3 |
16888 |
65.4 |
-0.8 |
0.527 |
0 |
0 |
0 |
0.000 |
| 29 |
34 |
|
[2CV]B:503 |
7 |
1 |
495 |
◊ |
[Y01]A:401 |
x,y,z |
1_555 |
8 |
1 |
777 |
64.3 |
-0.9 |
0.750 |
0 |
0 |
0 |
0.008 |
| 30 |
35 |
|
[2CV]B:505 |
4 |
1 |
653 |
f |
[Y01]B:402 |
x,y,z |
1_555 |
5 |
1 |
777 |
49.7 |
-0.7 |
0.622 |
0 |
0 |
0 |
0.007 |
| 31 |
36 |
|
[2CV]A:505 |
2 |
1 |
659 |
f |
[Y01]A:402 |
x,y,z |
1_555 |
6 |
1 |
778 |
47.4 |
-0.6 |
0.666 |
0 |
0 |
0 |
0.006 |
| 32 |
37 |
|
[2CV]A:505 |
4 |
1 |
659 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
5 |
1 |
16277 |
35.8 |
-0.6 |
0.449 |
0 |
0 |
0 |
0.000 |
| 33 |
38 |
|
[2CV]A:501 |
3 |
1 |
652 |
◊ |
[Y01]B:401 |
x,y,z |
1_555 |
3 |
1 |
771 |
34.2 |
0.2 |
0.678 |
0 |
0 |
0 |
0.000 |
| 34 |
39 |
|
[Y01]B:401 |
2 |
1 |
771 |
◊ |
[Y01]A:401 |
x,y,z |
1_555 |
2 |
1 |
777 |
26.1 |
-0.8 |
0.569 |
0 |
0 |
0 |
0.008 |
| 35 |
40 |
|
[2CV]B:501 |
2 |
1 |
561 |
◊ |
[Y01]A:401 |
x,y,z |
1_555 |
3 |
1 |
777 |
17.4 |
-0.2 |
0.643 |
0 |
0 |
0 |
0.002 |
|