| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
A |
201 |
52 |
15260 |
x |
A |
z,x,y |
5_555 |
207 |
60 |
15260 |
1929.8 |
-17.6 |
0.168 |
33 |
13 |
0 |
0.683 |
2 |
|
A |
48 |
12 |
15260 |
x |
A |
-z+1/2,-x,y+1/2 |
7_555 |
51 |
16 |
15260 |
428.1 |
-2.8 |
0.412 |
2 |
2 |
0 |
0.000 |
3 |
|
A |
43 |
12 |
15260 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
43 |
13 |
15260 |
343.3 |
-3.7 |
0.339 |
1 |
2 |
0 |
0.000 |
4 |
|
A |
28 |
10 |
15260 |
x |
A |
z-1/2,-x-1/2,-y |
6_445 |
32 |
9 |
15260 |
228.7 |
-2.0 |
0.452 |
4 |
0 |
0 |
0.000 |
5 |
|
[ACT]A:503 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
15260 |
88.0 |
-0.5 |
0.628 |
2 |
0 |
0 |
0.027 |
6 |
|
[NO2]A:506 |
3 |
1 |
149 |
◊ |
A |
x,y,z |
1_555 |
15 |
8 |
15260 |
79.0 |
1.0 |
0.765 |
0 |
0 |
0 |
0.000 |
7 |
|
[NO2]A:508 |
3 |
1 |
148 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
15260 |
77.1 |
1.8 |
0.893 |
2 |
0 |
0 |
0.000 |
8 |
|
[NO2]A:507 |
3 |
1 |
148 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
15260 |
76.1 |
1.4 |
0.807 |
5 |
0 |
0 |
0.017 |
9 |
|
[NO2]A:505 |
3 |
1 |
150 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
15260 |
67.7 |
1.7 |
0.903 |
1 |
0 |
0 |
0.000 |
10 |
|
[NO2]A:504 |
3 |
1 |
148 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
15260 |
55.0 |
0.7 |
0.808 |
1 |
0 |
0 |
0.000 |
11 |
|
A |
9 |
5 |
15260 |
◊ |
[NO2]A:509 |
z,x,y |
5_555 |
3 |
1 |
149 |
46.0 |
0.8 |
0.868 |
2 |
0 |
0 |
0.001 |
12 |
|
A |
7 |
3 |
15260 |
◊ |
[NO2]A:504 |
z,x,y |
5_555 |
3 |
1 |
148 |
41.2 |
1.1 |
0.941 |
1 |
0 |
0 |
0.000 |
13 |
|
[NO2]A:509 |
3 |
1 |
149 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
15260 |
36.1 |
0.2 |
0.661 |
2 |
0 |
0 |
0.014 |
14 |
|
A |
8 |
5 |
15260 |
◊ |
[NO]A:510 |
z,x,y |
5_555 |
2 |
1 |
129 |
32.9 |
-0.9 |
0.741 |
1 |
0 |
0 |
0.028 |
15 |
|
A |
9 |
4 |
15260 |
◊ |
[CU]A:502 |
z,x,y |
5_555 |
1 |
1 |
125 |
31.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.077 |
16 |
|
[CU]A:502 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
15260 |
29.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.092 |
17 |
|
[NO]A:510 |
2 |
1 |
129 |
f |
[NO2]A:509 |
x,y,z |
1_555 |
3 |
1 |
149 |
29.3 |
-0.8 |
0.866 |
0 |
0 |
0 |
0.017 |
18 |
|
A |
7 |
3 |
15260 |
◊ |
[NO2]A:507 |
z,x,y |
5_555 |
2 |
1 |
148 |
26.7 |
0.6 |
0.877 |
1 |
0 |
0 |
0.000 |
19 |
|
[NO]A:510 |
2 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
15260 |
25.3 |
-0.8 |
0.573 |
0 |
0 |
0 |
0.015 |
20 |
|
[NO2]A:509 |
3 |
1 |
149 |
f |
[CU]A:502 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.044 |
21 |
|
[NO2]A:505 |
2 |
1 |
150 |
◊ |
[NO2]A:504 |
x,y,z |
1_555 |
2 |
1 |
148 |
23.6 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
22 |
|
[NO]A:510 |
2 |
1 |
129 |
f |
[CU]A:502 |
x,y,z |
1_555 |
1 |
1 |
125 |
18.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.047 |
23 |
|
A |
3 |
2 |
15260 |
f |
[NO2]A:506 |
z,x,y |
5_555 |
2 |
1 |
149 |
18.1 |
0.1 |
0.650 |
0 |
0 |
0 |
0.000 |
24 |
|
[NO2]A:505 |
3 |
1 |
150 |
◊ |
[NO2]A:504 |
z,x,y |
5_555 |
3 |
1 |
148 |
15.6 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
25 |
|
[NO2]A:505 |
2 |
1 |
150 |
◊ |
A |
z,x,y |
5_555 |
1 |
1 |
15260 |
6.7 |
0.2 |
0.923 |
0 |
0 |
0 |
0.000 |
26 |
|
[NO2]A:505 |
1 |
1 |
150 |
fx |
[NO2]A:505 |
z,x,y |
5_555 |
1 |
1 |
150 |
2.3 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
27 |
|
A |
1 |
1 |
15260 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
15260 |
0.6 |
0.0 |
0.667 |
0 |
0 |
0 |
0.000 |
|