| ## |
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 |
88 |
26 |
18209 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
86 |
26 |
17924 |
814.4 |
-4.6 |
0.314 |
10 |
3 |
0 |
0.000 |
| 2 |
2 |
|
B |
92 |
26 |
18209 |
◊ |
A |
x,y,z |
1_555 |
90 |
27 |
17924 |
734.4 |
-1.3 |
0.609 |
9 |
6 |
0 |
0.034 |
| 3 |
3 |
|
B |
38 |
15 |
18209 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
3_456 |
50 |
17 |
17924 |
381.4 |
0.6 |
0.676 |
2 |
1 |
0 |
0.000 |
| 4 |
4 |
|
A |
34 |
13 |
17924 |
x |
A |
x-1/2,-y-1/2,-z+1 |
3_446 |
34 |
13 |
17924 |
293.8 |
-0.5 |
0.498 |
4 |
0 |
0 |
0.000 |
| 5 |
5 |
|
B |
16 |
4 |
18209 |
x |
B |
-x+1,y-1/2,-z+1/2 |
4_645 |
17 |
8 |
18209 |
150.7 |
0.7 |
0.618 |
5 |
0 |
0 |
0.000 |
| 6 |
6 |
|
A |
14 |
5 |
17924 |
x |
A |
x-1,y,z |
1_455 |
11 |
7 |
17924 |
92.8 |
0.0 |
0.579 |
0 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[ACT]A:605 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
18209 |
72.2 |
-0.4 |
0.618 |
0 |
0 |
0 |
0.002 |
| 8 |
8 |
|
[ACT]A:606 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
17924 |
72.1 |
-0.8 |
0.539 |
0 |
0 |
0 |
0.004 |
| 9 |
9 |
|
[ACT]B:604 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
18209 |
65.4 |
-0.3 |
0.675 |
0 |
0 |
0 |
0.002 |
| 10 |
10 |
|
[ACT]A:604 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
17924 |
65.2 |
-0.2 |
0.670 |
0 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[ACT]A:604 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
18209 |
56.0 |
-0.2 |
0.597 |
1 |
0 |
0 |
0.003 |
| 12 |
12 |
|
[ACT]B:604 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
17924 |
54.9 |
-0.2 |
0.592 |
1 |
0 |
0 |
0.003 |
| 13 |
13 |
|
[ACT]A:605 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
17924 |
53.3 |
-0.6 |
0.508 |
1 |
0 |
0 |
0.006 |
| 14 |
14 |
|
[ACT]A:606 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
18209 |
46.3 |
-0.3 |
0.555 |
1 |
0 |
0 |
0.004 |
| 15 |
15 |
|
[ZN]B:603 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
18209 |
41.4 |
-21.0 |
0.000 |
0 |
0 |
0 |
0.117 |
| 16 |
16 |
|
B |
8 |
4 |
18209 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
4 |
17924 |
41.1 |
0.2 |
0.647 |
0 |
0 |
0 |
0.000 |
| 17 |
17 |
|
[ZN]B:602 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
17924 |
40.7 |
-17.8 |
0.000 |
0 |
0 |
0 |
0.199 |
18 |
|
[ZN]B:602 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
18209 |
39.3 |
-18.2 |
0.000 |
0 |
0 |
0 |
0.199 |
| Average: |
40.0 |
-18.0 |
0.000 |
0 |
0 |
0 |
0.199 |
| 18 |
19 |
|
[ZN]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
17924 |
40.7 |
-17.6 |
0.000 |
0 |
0 |
0 |
0.097 |
| 19 |
20 |
|
[ZN]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
18209 |
38.9 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.103 |
| 20 |
21 |
|
[ZN]A:601 |
1 |
1 |
98 |
◊ |
A |
x-1/2,-y-1/2,-z+1 |
3_446 |
4 |
2 |
17924 |
37.5 |
-16.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[ZN]A:602 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
18209 |
24.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.140 |
23 |
|
[ZN]A:603 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
17924 |
24.3 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.140 |
| Average: |
24.5 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.140 |
| 22 |
24 |
|
[ACT]B:604 |
3 |
1 |
183 |
f |
[ACT]A:606 |
x,y,z |
1_555 |
3 |
1 |
182 |
22.6 |
0.5 |
0.875 |
0 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[ACT]B:604 |
3 |
1 |
183 |
f |
[ZN]A:603 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.3 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.186 |
26 |
|
[ACT]A:605 |
3 |
1 |
182 |
f |
[ZN]A:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.0 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.186 |
27 |
|
[ACT]A:604 |
3 |
1 |
183 |
f |
[ZN]A:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.8 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.186 |
28 |
|
[ACT]A:606 |
3 |
1 |
182 |
f |
[ZN]A:603 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.5 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.186 |
| Average: |
21.9 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.186 |
| 24 |
29 |
|
[ZN]A:602 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
17924 |
22.1 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.103 |
30 |
|
[ZN]A:603 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
18209 |
21.9 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.103 |
| Average: |
22.0 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.103 |
| 25 |
31 |
|
[ACT]A:605 |
3 |
1 |
182 |
f |
[ACT]A:604 |
x,y,z |
1_555 |
1 |
1 |
183 |
20.4 |
0.4 |
0.935 |
0 |
0 |
0 |
0.000 |
|