| ## |
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 |
38 |
11 |
13692 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
38 |
14 |
13692 |
378.5 |
-3.3 |
0.338 |
3 |
4 |
0 |
0.000 |
| 2 |
2 |
|
A |
29 |
14 |
13692 |
x |
A |
x-1,y,z |
1_455 |
23 |
7 |
13692 |
242.2 |
-1.6 |
0.464 |
1 |
2 |
0 |
0.000 |
| 3 |
3 |
|
A |
24 |
10 |
13692 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
29 |
10 |
13692 |
203.9 |
1.2 |
0.770 |
0 |
1 |
0 |
0.000 |
| 4 |
4 |
|
[ACT]A:1014 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
16 |
8 |
13692 |
101.2 |
0.0 |
0.687 |
2 |
0 |
0 |
0.000 |
| 5 |
5 |
|
[ACT]A:1015 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
19 |
8 |
13692 |
90.1 |
-1.7 |
0.413 |
3 |
0 |
0 |
0.000 |
| 6 |
6 |
|
[ACT]A:1013 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
13692 |
90.0 |
-0.0 |
0.713 |
4 |
0 |
0 |
0.000 |
| 7 |
7 |
|
A |
14 |
5 |
13692 |
◊ |
[ACT]A:1016 |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
183 |
86.5 |
-0.5 |
0.631 |
1 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[ACT]A:1012 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
13692 |
79.1 |
0.3 |
0.778 |
1 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[ACT]A:1012 |
4 |
1 |
181 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
4 |
13692 |
58.5 |
0.4 |
0.784 |
1 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[ZN]A:1010 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
10 |
7 |
13692 |
53.2 |
-32.9 |
0.000 |
0 |
0 |
0 |
0.012 |
| 11 |
11 |
|
[ZN]A:1011 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
10 |
5 |
13692 |
51.0 |
-32.0 |
0.000 |
0 |
0 |
0 |
0.012 |
| 12 |
12 |
|
A |
5 |
2 |
13692 |
f |
[ACT]A:1015 |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
182 |
48.8 |
-0.3 |
0.631 |
0 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[ZN]A:1008 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
13692 |
45.9 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.009 |
| 14 |
14 |
|
[ZN]A:1003 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
13692 |
45.6 |
-23.2 |
0.000 |
0 |
0 |
0 |
0.009 |
| 15 |
15 |
|
[ZN]A:1007 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
13692 |
43.1 |
-22.3 |
0.000 |
0 |
0 |
0 |
0.008 |
| 16 |
16 |
|
A |
7 |
3 |
13692 |
f |
[ZN]A:1005 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
40.6 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.008 |
| 17 |
17 |
|
[ZN]A:1009 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
13692 |
39.9 |
-19.3 |
0.000 |
0 |
0 |
0 |
0.007 |
| 18 |
18 |
|
[ZN]A:1001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
13692 |
39.7 |
-16.6 |
0.000 |
0 |
0 |
0 |
0.006 |
| 19 |
19 |
|
[ACT]A:1016 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
13692 |
37.8 |
1.2 |
0.896 |
1 |
0 |
0 |
0.000 |
| 20 |
20 |
|
[ZN]A:1004 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
13692 |
37.2 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.007 |
| 21 |
21 |
|
[ZN]A:1002 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
13692 |
36.7 |
-17.4 |
0.000 |
0 |
0 |
0 |
0.007 |
| 22 |
22 |
|
A |
6 |
2 |
13692 |
f |
[ZN]A:1006 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
98 |
35.1 |
-15.1 |
0.000 |
0 |
0 |
0 |
0.006 |
| 23 |
23 |
|
A |
3 |
1 |
13692 |
◊ |
[ZN]A:1008 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
98 |
31.9 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 24 |
24 |
|
[ZN]A:1009 |
1 |
1 |
98 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
13692 |
31.6 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 25 |
25 |
|
[ZN]A:1005 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13692 |
31.0 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 26 |
26 |
|
[ZN]A:1006 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
13692 |
28.4 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 27 |
27 |
|
[ACT]A:1012 |
3 |
1 |
181 |
cf |
[ZN]A:1002 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.8 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.008 |
28 |
|
[ACT]A:1013 |
2 |
1 |
183 |
f |
[ZN]A:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.5 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.008 |
| Average: |
26.6 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.008 |
| 28 |
29 |
|
[ACT]A:1014 |
3 |
1 |
184 |
◊ |
[ZN]A:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.3 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
|
[ACT]A:1016 |
3 |
1 |
183 |
◊ |
[ZN]A:1006 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.3 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
|
[ACT]A:1015 |
3 |
1 |
182 |
◊ |
[ZN]A:1004 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.2 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
26.3 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 29 |
32 |
|
[ZN]A:1002 |
1 |
1 |
98 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
13692 |
25.5 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 30 |
33 |
|
A |
4 |
2 |
13692 |
◊ |
[ZN]A:1004 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
98 |
25.5 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 31 |
34 |
|
[ACT]A:1014 |
3 |
1 |
184 |
◊ |
[ACT]A:1013 |
x,y,z |
1_555 |
1 |
1 |
183 |
20.3 |
0.5 |
0.935 |
0 |
0 |
0 |
0.000 |
| 32 |
35 |
|
[ACT]A:1013 |
4 |
1 |
183 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
13692 |
17.5 |
0.1 |
0.729 |
0 |
0 |
0 |
0.000 |
|