## |
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 |
|
[VS4]B:401 |
43 |
1 |
885 |
cf |
B |
x,y,z |
1_555 |
67 |
25 |
11703 |
495.6 |
-10.2 |
0.291 |
5 |
0 |
0 |
0.088 |
2 |
|
[VS4]C:401 |
43 |
1 |
882 |
cf |
C |
x,y,z |
1_555 |
73 |
26 |
12001 |
494.5 |
-10.1 |
0.323 |
5 |
0 |
0 |
0.088 |
3 |
|
[VS4]A:401 |
43 |
1 |
879 |
cf |
A |
x,y,z |
1_555 |
73 |
26 |
11867 |
492.0 |
-10.0 |
0.330 |
5 |
0 |
0 |
0.088 |
Average: |
494.0 |
-10.1 |
0.314 |
5 |
0 |
0 |
0.088 |
2 |
4 |
|
B |
41 |
13 |
11703 |
x |
C |
x,y-1,z |
1_545 |
44 |
15 |
12001 |
409.5 |
-1.1 |
0.499 |
3 |
1 |
0 |
0.000 |
5 |
|
A |
44 |
16 |
11867 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
43 |
14 |
11867 |
403.6 |
-1.2 |
0.501 |
5 |
1 |
0 |
0.000 |
Average: |
406.6 |
-1.1 |
0.500 |
4 |
1 |
0 |
0.000 |
3 |
6 |
|
B |
38 |
14 |
11703 |
◊ |
A |
x,y,z |
1_555 |
34 |
10 |
11867 |
342.2 |
-1.0 |
0.480 |
1 |
1 |
0 |
0.000 |
7 |
|
A |
36 |
13 |
11867 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
34 |
10 |
12001 |
333.5 |
-0.9 |
0.486 |
2 |
3 |
0 |
0.000 |
8 |
|
B |
36 |
10 |
11703 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
36 |
13 |
12001 |
324.1 |
-1.8 |
0.420 |
2 |
3 |
0 |
0.000 |
Average: |
333.3 |
-1.3 |
0.462 |
2 |
2 |
0 |
0.000 |
4 |
9 |
|
A |
26 |
9 |
11867 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
25 |
10 |
11703 |
243.4 |
0.4 |
0.637 |
1 |
0 |
0 |
0.000 |
5 |
10 |
|
[VS4]A:401 |
23 |
1 |
879 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
27 |
7 |
12001 |
210.4 |
-3.3 |
0.398 |
0 |
0 |
0 |
0.000 |
11 |
|
[VS4]B:401 |
23 |
1 |
885 |
◊ |
A |
x,y,z |
1_555 |
25 |
7 |
11867 |
208.5 |
-3.5 |
0.354 |
0 |
0 |
0 |
0.000 |
12 |
|
B |
26 |
7 |
11703 |
◊ |
[VS4]C:401 |
-x+1,y-1/2,-z+2 |
2_647 |
23 |
1 |
882 |
207.4 |
-3.2 |
0.422 |
0 |
0 |
0 |
0.000 |
Average: |
208.8 |
-3.3 |
0.391 |
0 |
0 |
0 |
0.000 |
6 |
13 |
|
C |
14 |
4 |
12001 |
x |
A |
x,y,z |
1_555 |
18 |
6 |
11867 |
133.3 |
-1.5 |
0.234 |
1 |
0 |
0 |
0.000 |
14 |
|
B |
16 |
8 |
11703 |
x |
B |
-x+1,y-1/2,-z+2 |
2_647 |
14 |
4 |
11703 |
121.5 |
-1.2 |
0.269 |
1 |
0 |
0 |
0.000 |
Average: |
127.4 |
-1.3 |
0.251 |
1 |
0 |
0 |
0.000 |
7 |
15 |
|
[ACT]C:402 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
20 |
5 |
12001 |
88.4 |
-1.2 |
0.482 |
1 |
0 |
0 |
0.012 |
8 |
16 |
|
[ACT]B:402 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
5 |
11703 |
88.3 |
-1.3 |
0.507 |
1 |
0 |
0 |
0.012 |
17 |
|
[ACT]A:402 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
20 |
5 |
11867 |
86.7 |
-1.3 |
0.510 |
1 |
0 |
0 |
0.012 |
Average: |
87.5 |
-1.3 |
0.509 |
1 |
0 |
0 |
0.012 |
9 |
18 |
|
A |
6 |
4 |
11867 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
2 |
11703 |
62.5 |
1.4 |
0.849 |
0 |
0 |
0 |
0.000 |
10 |
19 |
|
A |
4 |
2 |
11867 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
3 |
12001 |
47.1 |
0.8 |
0.541 |
0 |
0 |
0 |
0.000 |
11 |
20 |
|
C |
2 |
1 |
12001 |
◊ |
B |
x-1,y+1,z |
1_465 |
7 |
2 |
11703 |
43.8 |
1.1 |
0.659 |
1 |
0 |
0 |
0.000 |
12 |
21 |
|
A |
4 |
1 |
11867 |
◊ |
C |
x,y-1,z |
1_545 |
5 |
1 |
12001 |
43.2 |
-0.7 |
0.358 |
0 |
0 |
0 |
0.000 |
13 |
22 |
|
C |
4 |
4 |
12001 |
x |
C |
-x,y-1/2,-z+2 |
2_547 |
7 |
3 |
12001 |
39.6 |
1.9 |
0.879 |
0 |
0 |
0 |
0.000 |
14 |
23 |
|
[VS4]A:401 |
4 |
1 |
879 |
◊ |
[ACT]C:402 |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
183 |
33.5 |
0.7 |
0.802 |
0 |
0 |
0 |
0.000 |
15 |
24 |
|
[ACT]A:402 |
3 |
1 |
183 |
◊ |
[VS4]B:401 |
x,y,z |
1_555 |
4 |
1 |
885 |
33.4 |
0.7 |
0.802 |
0 |
0 |
0 |
0.000 |
25 |
|
[ACT]B:402 |
3 |
1 |
183 |
◊ |
[VS4]C:401 |
-x+1,y-1/2,-z+2 |
2_647 |
4 |
1 |
882 |
30.5 |
0.9 |
0.808 |
0 |
0 |
0 |
0.000 |
Average: |
32.0 |
0.8 |
0.805 |
0 |
0 |
0 |
0.000 |
16 |
26 |
|
C |
5 |
3 |
12001 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
11703 |
30.6 |
1.2 |
0.855 |
0 |
0 |
0 |
0.000 |
17 |
27 |
|
B |
3 |
1 |
11703 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
11867 |
14.8 |
-0.3 |
0.399 |
0 |
0 |
0 |
0.000 |
18 |
28 |
|
A |
1 |
1 |
11867 |
◊ |
[ACT]C:402 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
183 |
14.3 |
-0.1 |
0.655 |
0 |
0 |
0 |
0.000 |
19 |
29 |
|
[ACT]A:402 |
1 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11703 |
14.2 |
-0.1 |
0.654 |
0 |
0 |
0 |
0.000 |
30 |
|
[ACT]B:402 |
1 |
1 |
183 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
12001 |
12.4 |
-0.1 |
0.653 |
0 |
0 |
0 |
0.000 |
Average: |
13.3 |
-0.1 |
0.653 |
0 |
0 |
0 |
0.000 |
20 |
31 |
|
A |
3 |
1 |
11867 |
◊ |
C |
-x,y-1/2,-z+2 |
2_547 |
1 |
1 |
12001 |
3.7 |
0.1 |
0.718 |
0 |
0 |
0 |
0.000 |
21 |
32 |
|
B |
1 |
1 |
11703 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
12001 |
1.8 |
0.1 |
0.705 |
0 |
0 |
0 |
0.000 |
22 |
33 |
|
[ACT]C:402 |
1 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11867 |
1.5 |
-0.0 |
0.587 |
0 |
0 |
0 |
0.000 |
23 |
34 |
|
[VS4]A:401 |
1 |
1 |
879 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
11867 |
1.3 |
-0.0 |
0.649 |
0 |
0 |
0 |
0.000 |
35 |
|
B |
1 |
1 |
11703 |
◊ |
[VS4]C:401 |
x,y-1,z |
1_545 |
1 |
1 |
882 |
0.9 |
-0.0 |
0.685 |
0 |
0 |
0 |
0.000 |
Average: |
1.1 |
-0.0 |
0.667 |
0 |
0 |
0 |
0.000 |
|