| ## |
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 |
76 |
19 |
9424 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
72 |
22 |
9424 |
703.1 |
0.9 |
0.640 |
5 |
0 |
0 |
0.000 |
| 2 |
2 |
|
B |
72 |
18 |
9424 |
◊ |
A |
x,y,z |
1_555 |
73 |
20 |
9805 |
642.9 |
-5.9 |
0.206 |
2 |
0 |
0 |
0.000 |
| 3 |
3 |
|
A |
49 |
14 |
9805 |
x |
A |
-x,y-1/2,-z |
2_545 |
59 |
14 |
9805 |
427.1 |
-0.4 |
0.512 |
3 |
0 |
0 |
0.000 |
| 4 |
4 |
|
E |
28 |
4 |
645 |
◊ |
A |
x,y,z |
1_555 |
61 |
24 |
9805 |
408.5 |
-1.6 |
0.555 |
7 |
2 |
0 |
0.128 |
5 |
|
D |
28 |
4 |
645 |
◊ |
B |
x,y,z |
1_555 |
58 |
23 |
9424 |
401.8 |
-2.6 |
0.438 |
7 |
0 |
0 |
0.128 |
| Average: |
405.1 |
-2.1 |
0.497 |
7 |
1 |
0 |
0.128 |
| 5 |
6 |
|
B |
49 |
14 |
9424 |
x |
B |
x,y-1,z |
1_545 |
41 |
11 |
9424 |
377.6 |
0.5 |
0.585 |
3 |
0 |
0 |
0.000 |
| 6 |
7 |
|
B |
32 |
11 |
9424 |
x |
B |
x-1,y,z |
1_455 |
31 |
10 |
9424 |
269.2 |
-3.2 |
0.222 |
0 |
0 |
0 |
0.000 |
| 7 |
8 |
|
A |
24 |
9 |
9805 |
x |
A |
x,y-1,z |
1_545 |
24 |
9 |
9805 |
219.0 |
-0.5 |
0.464 |
0 |
0 |
0 |
0.000 |
| 8 |
9 |
|
A |
21 |
7 |
9805 |
x |
A |
x-1,y,z |
1_455 |
20 |
7 |
9805 |
202.7 |
-1.8 |
0.270 |
1 |
0 |
0 |
0.000 |
| 9 |
10 |
|
A |
20 |
8 |
9805 |
◊ |
B |
x-1,y,z |
1_455 |
18 |
6 |
9424 |
157.2 |
-0.9 |
0.432 |
1 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[ACE]E:0 |
3 |
1 |
172 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
3 |
9805 |
67.5 |
-0.8 |
0.662 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
E |
5 |
2 |
645 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
2 |
9805 |
62.9 |
-0.1 |
0.591 |
0 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[ACE]D:0 |
3 |
1 |
171 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
3 |
9424 |
58.9 |
-0.9 |
0.582 |
0 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[ACE]D:0 |
3 |
1 |
171 |
cf |
D |
x,y,z |
1_555 |
5 |
2 |
645 |
57.7 |
-0.2 |
0.782 |
0 |
0 |
0 |
0.100 |
| 14 |
15 |
|
[NI]A:302 |
1 |
1 |
115 |
cf |
A |
x,y,z |
1_555 |
4 |
3 |
9805 |
56.4 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.197 |
| 15 |
16 |
|
[ACE]E:0 |
3 |
1 |
172 |
cf |
E |
x,y,z |
1_555 |
4 |
2 |
645 |
51.0 |
-0.3 |
0.799 |
0 |
0 |
0 |
0.100 |
| 16 |
17 |
|
D |
5 |
2 |
645 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
3 |
9424 |
39.4 |
-0.7 |
0.367 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[ACE]D:0 |
3 |
1 |
171 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
9424 |
39.2 |
-0.1 |
0.805 |
0 |
0 |
0 |
0.001 |
| 18 |
19 |
|
[ZN]B:300 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
9424 |
37.4 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.575 |
20 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
9805 |
37.0 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.575 |
| Average: |
37.2 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.575 |
| 19 |
21 |
|
[ACE]E:0 |
2 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
9805 |
36.0 |
-0.4 |
0.795 |
0 |
0 |
0 |
0.007 |
| 20 |
22 |
|
[ZN]B:300 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
645 |
30.9 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.291 |
23 |
|
[ZN]A:301 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
645 |
30.8 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.291 |
| Average: |
30.8 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.291 |
| 21 |
24 |
|
B |
1 |
1 |
9424 |
◊ |
[ACE]D:0 |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
171 |
12.8 |
-0.4 |
0.379 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
B |
2 |
1 |
9424 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
9424 |
11.4 |
-0.0 |
0.488 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
B |
2 |
1 |
9424 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
645 |
9.7 |
-0.1 |
0.448 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
[ACE]E:0 |
1 |
1 |
172 |
◊ |
[NI]A:302 |
x-1,y,z |
1_455 |
1 |
1 |
115 |
5.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
A |
1 |
1 |
9805 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
9805 |
5.7 |
-0.0 |
0.486 |
0 |
0 |
0 |
0.000 |
|