| ## |
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 |
85 |
25 |
10395 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
86 |
25 |
10395 |
785.6 |
2.9 |
0.826 |
14 |
2 |
0 |
0.023 |
| 2 |
2 |
|
A |
40 |
13 |
10395 |
◊ |
A |
x-y,-y,-z+1 |
8_556 |
40 |
13 |
10395 |
342.1 |
-0.6 |
0.534 |
2 |
0 |
0 |
0.000 |
| 3 |
3 |
|
A |
33 |
11 |
10395 |
x |
A |
x-y,x,z+1/6 |
6_555 |
37 |
13 |
10395 |
331.9 |
-2.2 |
0.277 |
3 |
0 |
0 |
0.000 |
| 4 |
4 |
|
A |
22 |
8 |
10395 |
◊ |
A |
-y,-x,-z+5/6 |
10_555 |
22 |
8 |
10395 |
192.7 |
0.1 |
0.607 |
3 |
0 |
0 |
0.000 |
| 5 |
5 |
|
A |
11 |
5 |
10395 |
◊ |
A |
x,x-y,-z+1/6 |
12_555 |
12 |
5 |
10395 |
108.8 |
-2.4 |
0.083 |
0 |
0 |
0 |
0.000 |
| 6 |
6 |
|
[SCN]A:302 |
3 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
10395 |
85.1 |
-1.9 |
0.443 |
0 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[SCN]A:303 |
3 |
1 |
185 |
f |
A |
x,x-y,-z+1/6 |
12_555 |
8 |
4 |
10395 |
71.3 |
-1.7 |
0.652 |
1 |
0 |
0 |
0.031 |
| 8 |
8 |
|
[NA]A:298 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
10395 |
67.3 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.135 |
| 9 |
9 |
|
[NA]A:294 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
10395 |
65.3 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.145 |
| 10 |
10 |
|
[NA]A:296 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
10395 |
63.9 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.125 |
| 11 |
11 |
|
[SCN]A:303 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
10395 |
62.8 |
-2.0 |
0.462 |
0 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[NA]A:295 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
10395 |
58.8 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.116 |
| 13 |
13 |
|
[SCN]A:302 |
3 |
1 |
181 |
f |
A |
x-y,x,z+1/6 |
6_555 |
10 |
5 |
10395 |
53.9 |
-2.9 |
0.335 |
1 |
0 |
0 |
0.049 |
| 14 |
14 |
|
[NA]A:297 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
10395 |
53.0 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.095 |
| 15 |
15 |
|
[NA]A:297 |
1 |
1 |
125 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
10 |
5 |
10395 |
49.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[NA]A:299 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
10395 |
46.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.080 |
| 17 |
17 |
|
[NA]A:300 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
10395 |
43.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.154 |
18 |
|
[NA]A:301 |
1 |
1 |
125 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
6 |
3 |
10395 |
41.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.154 |
| Average: |
42.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.154 |
| 18 |
19 |
|
[NA]A:301 |
1 |
1 |
125 |
f |
[NA]A:300 |
-x+y+1,y,-z+1/2 |
11_655 |
1 |
1 |
125 |
38.5 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.114 |
| 19 |
20 |
|
[NA]A:300 |
1 |
1 |
125 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
7 |
3 |
10395 |
34.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.110 |
21 |
|
[NA]A:301 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
10395 |
31.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.110 |
| Average: |
33.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.110 |
| 20 |
22 |
|
[NA]A:299 |
1 |
1 |
125 |
◊ |
A |
x-y,-y,-z+1 |
8_556 |
6 |
2 |
10395 |
32.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[ZN]A:293 |
1 |
1 |
98 |
f |
[ZN]A:292 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.0 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.100 |
| 22 |
24 |
|
[SCN]A:302 |
2 |
1 |
181 |
◊ |
[NA]A:298 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[NA]A:298 |
1 |
1 |
125 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
2 |
2 |
10395 |
7.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
|