| ## |
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 |
|
[PM5]A:301 |
28 |
1 |
746 |
cf |
A |
x,y,z |
1_555 |
59 |
20 |
4990 |
444.1 |
-1.1 |
0.401 |
4 |
0 |
0 |
0.027 |
| 2 |
2 |
|
[PM5]B:302 |
25 |
1 |
709 |
cf |
B |
x,y,z |
1_555 |
51 |
17 |
4915 |
398.0 |
0.8 |
0.347 |
0 |
0 |
0 |
0.000 |
| 3 |
3 |
|
B |
37 |
11 |
4915 |
x |
B |
x,y,z-1 |
1_554 |
34 |
11 |
4915 |
298.2 |
-1.1 |
0.459 |
2 |
1 |
0 |
0.000 |
4 |
|
A |
37 |
12 |
4990 |
x |
A |
x,y,z-1 |
1_554 |
34 |
11 |
4990 |
297.7 |
-1.3 |
0.491 |
2 |
1 |
0 |
0.000 |
| Average: |
297.9 |
-1.2 |
0.475 |
2 |
1 |
0 |
0.000 |
| 4 |
5 |
|
B |
30 |
8 |
4915 |
◊ |
A |
x,y,z |
1_555 |
34 |
10 |
4990 |
271.8 |
4.5 |
0.932 |
8 |
3 |
0 |
0.000 |
| 5 |
6 |
|
B |
30 |
9 |
4915 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
28 |
8 |
4990 |
224.1 |
-1.0 |
0.514 |
2 |
0 |
0 |
0.010 |
| 6 |
7 |
|
B |
22 |
7 |
4915 |
◊ |
A |
-x+1,-y+1,z-1 |
2_664 |
21 |
7 |
4990 |
185.2 |
-1.2 |
0.417 |
2 |
2 |
0 |
0.012 |
| 7 |
8 |
|
A |
19 |
7 |
4990 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
23 |
9 |
4915 |
173.4 |
1.2 |
0.706 |
3 |
1 |
0 |
0.000 |
| 8 |
9 |
|
A |
20 |
8 |
4990 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
18 |
6 |
4915 |
147.4 |
1.8 |
0.819 |
3 |
2 |
0 |
0.000 |
| 9 |
10 |
|
A |
12 |
5 |
4990 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
11 |
5 |
4990 |
123.7 |
0.6 |
0.728 |
0 |
0 |
0 |
0.000 |
11 |
|
B |
8 |
2 |
4915 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
8 |
2 |
4915 |
65.9 |
0.9 |
0.779 |
0 |
0 |
0 |
0.000 |
| Average: |
94.8 |
0.8 |
0.754 |
0 |
0 |
0 |
0.000 |
| 10 |
12 |
|
B |
14 |
5 |
4915 |
◊ |
A |
x,y,z-1 |
1_554 |
15 |
5 |
4990 |
97.0 |
0.8 |
0.747 |
0 |
0 |
0 |
0.000 |
| 11 |
13 |
|
A |
9 |
3 |
4990 |
◊ |
B |
x-1,y,z+1 |
1_456 |
9 |
4 |
4915 |
88.9 |
1.8 |
0.820 |
1 |
0 |
0 |
0.000 |
| 12 |
14 |
|
A |
7 |
3 |
4990 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
3 |
4915 |
68.7 |
0.2 |
0.628 |
0 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[ZN]A:405 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
4990 |
52.4 |
-26.7 |
0.000 |
0 |
0 |
0 |
0.310 |
16 |
|
B |
10 |
6 |
4915 |
f |
[ZN]B:409 |
x,y,z-1 |
1_554 |
1 |
1 |
98 |
51.6 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.310 |
| Average: |
52.0 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.310 |
| 14 |
17 |
|
[ZN]A:407 |
1 |
1 |
98 |
x |
A |
x,y,z |
1_555 |
8 |
3 |
4990 |
44.3 |
-22.6 |
0.000 |
0 |
0 |
0 |
0.206 |
| 15 |
18 |
|
[NA]A:401 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
4915 |
41.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.021 |
| 16 |
19 |
|
[ZN]A:403 |
1 |
1 |
98 |
f |
B |
x-1/2,-y+1/2,-z |
4_455 |
7 |
3 |
4915 |
40.3 |
-20.9 |
0.000 |
0 |
0 |
0 |
0.231 |
20 |
|
[ZN]A:404 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
6 |
3 |
4990 |
39.2 |
-18.2 |
0.000 |
0 |
0 |
0 |
0.231 |
| Average: |
39.8 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.231 |
| 17 |
21 |
|
[ZN]A:404 |
1 |
1 |
98 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
10 |
4 |
4915 |
39.7 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
|
[ZN]A:403 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
4990 |
36.8 |
-18.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
38.3 |
-19.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 18 |
23 |
|
B |
7 |
3 |
4915 |
f |
[ZN]A:406 |
x,y,z-1 |
1_554 |
1 |
1 |
98 |
38.6 |
-17.0 |
0.000 |
0 |
0 |
0 |
0.194 |
24 |
|
[ZN]A:402 |
1 |
1 |
98 |
cf |
A |
x,y,z-1 |
1_554 |
7 |
3 |
4990 |
34.1 |
-15.8 |
0.000 |
0 |
0 |
0 |
0.194 |
| Average: |
36.4 |
-16.4 |
0.000 |
0 |
0 |
0 |
0.194 |
| 19 |
25 |
|
[ZN]A:408 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
4990 |
36.6 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.183 |
| 20 |
26 |
|
[PM5]B:302 |
3 |
1 |
709 |
◊ |
B |
x,y,z-1 |
1_554 |
7 |
3 |
4915 |
35.9 |
-1.8 |
0.265 |
0 |
0 |
0 |
0.000 |
| 21 |
27 |
|
[NA]A:401 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
4990 |
34.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.035 |
| 22 |
28 |
|
[NA]A:401 |
1 |
1 |
125 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
5 |
1 |
4915 |
34.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.020 |
| 23 |
29 |
|
[ZN]A:402 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
4990 |
29.0 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
|
[ZN]A:406 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
4915 |
28.3 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
28.7 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 24 |
31 |
|
[ZN]A:402 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
4915 |
27.3 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.117 |
32 |
|
[ZN]A:406 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
4990 |
26.5 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.117 |
| Average: |
26.9 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.117 |
| 25 |
33 |
|
[ZN]A:408 |
1 |
1 |
98 |
◊ |
B |
x-1,y,z+1 |
1_456 |
3 |
1 |
4915 |
27.1 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.006 |
| 26 |
34 |
|
A |
5 |
2 |
4990 |
◊ |
[ZN]A:405 |
x,y,z-1 |
1_554 |
1 |
1 |
98 |
26.0 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
|
[ZN]B:409 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
4915 |
23.3 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
24.7 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 27 |
36 |
|
A |
5 |
2 |
4990 |
◊ |
[PM5]A:301 |
x,y,z-1 |
1_554 |
2 |
1 |
746 |
24.4 |
-1.2 |
0.350 |
0 |
0 |
0 |
0.000 |
| 28 |
37 |
|
A |
5 |
3 |
4990 |
◊ |
[ZN]A:408 |
x,y,z-1 |
1_554 |
1 |
1 |
98 |
23.7 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 29 |
38 |
|
A |
4 |
1 |
4990 |
◊ |
[PM5]B:302 |
x-1,y,z+1 |
1_456 |
4 |
1 |
709 |
20.4 |
0.0 |
0.526 |
0 |
0 |
0 |
0.000 |
| 30 |
39 |
|
[PM5]A:301 |
2 |
1 |
746 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
4915 |
20.2 |
0.1 |
0.416 |
0 |
0 |
0 |
0.000 |
| 31 |
40 |
|
B |
1 |
1 |
4915 |
◊ |
B |
-x+2,-y+1,z |
2_765 |
1 |
1 |
4915 |
19.3 |
1.4 |
0.980 |
0 |
0 |
0 |
0.000 |
| 32 |
41 |
|
[NA]A:401 |
1 |
1 |
125 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
1 |
4990 |
4.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
|