## |
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 |
199 |
52 |
15210 |
x |
A |
z,x,y |
5_555 |
211 |
60 |
15210 |
1894.7 |
-17.3 |
0.152 |
32 |
12 |
0 |
0.678 |
2 |
|
A |
45 |
12 |
15210 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
53 |
14 |
15210 |
440.3 |
-2.7 |
0.428 |
1 |
5 |
0 |
0.000 |
3 |
|
A |
46 |
14 |
15210 |
x |
A |
-z+1/2,-x,y+1/2 |
7_555 |
47 |
14 |
15210 |
408.9 |
-1.5 |
0.498 |
3 |
3 |
0 |
0.000 |
4 |
|
A |
30 |
10 |
15210 |
x |
A |
z-1/2,-x-1/2,-y |
6_445 |
32 |
10 |
15210 |
236.9 |
-1.1 |
0.542 |
4 |
2 |
0 |
0.000 |
5 |
|
[MLI]A:504 |
7 |
1 |
225 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
15210 |
119.8 |
1.7 |
0.524 |
1 |
0 |
0 |
0.000 |
6 |
|
[ACT]A:503 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
15210 |
94.9 |
-0.7 |
0.563 |
2 |
0 |
0 |
0.033 |
7 |
|
[NO2]A:509 |
3 |
1 |
147 |
f |
A |
z,x,y |
5_555 |
15 |
7 |
15210 |
78.4 |
1.3 |
0.807 |
6 |
0 |
0 |
0.027 |
8 |
|
[NO2]A:512 |
3 |
1 |
148 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
15210 |
76.3 |
1.1 |
0.777 |
1 |
0 |
0 |
0.000 |
9 |
|
[NO2]A:508 |
3 |
1 |
147 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
15210 |
54.8 |
1.3 |
0.925 |
2 |
0 |
0 |
0.000 |
10 |
|
[NO2]A:511 |
3 |
1 |
146 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
15210 |
53.3 |
1.5 |
0.943 |
4 |
0 |
0 |
0.000 |
11 |
|
[NO2]A:510 |
3 |
1 |
148 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
15210 |
52.1 |
1.0 |
0.882 |
1 |
0 |
0 |
0.000 |
12 |
|
[NO2]A:507 |
3 |
1 |
147 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
15210 |
51.4 |
0.7 |
0.801 |
0 |
0 |
0 |
0.000 |
13 |
|
A |
4 |
3 |
15210 |
◊ |
[NO2]A:510 |
z,x,y |
5_555 |
3 |
1 |
148 |
50.9 |
1.3 |
0.944 |
1 |
0 |
0 |
0.000 |
14 |
|
A |
9 |
5 |
15210 |
◊ |
[NO2]A:505 |
z,x,y |
5_555 |
3 |
1 |
148 |
44.8 |
0.4 |
0.631 |
1 |
0 |
0 |
0.002 |
15 |
|
[NO2]A:511 |
3 |
1 |
146 |
◊ |
A |
z,x,y |
5_555 |
12 |
4 |
15210 |
36.4 |
0.2 |
0.722 |
0 |
0 |
0 |
0.000 |
16 |
|
A |
7 |
3 |
15210 |
◊ |
[NO2]A:507 |
z,x,y |
5_555 |
3 |
1 |
147 |
35.7 |
1.0 |
0.935 |
1 |
0 |
0 |
0.000 |
17 |
|
[NO2]A:505 |
3 |
1 |
148 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
15210 |
34.8 |
0.2 |
0.699 |
0 |
0 |
0 |
0.000 |
18 |
|
[NO2]A:511 |
3 |
1 |
146 |
cf |
[NO2]A:507 |
z,x,y |
5_555 |
3 |
1 |
147 |
33.0 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
19 |
|
[NO2]A:508 |
3 |
1 |
147 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
3 |
15210 |
32.7 |
0.4 |
0.803 |
0 |
0 |
0 |
0.000 |
20 |
|
A |
8 |
4 |
15210 |
◊ |
[NO]A:506 |
z,x,y |
5_555 |
2 |
1 |
129 |
32.5 |
-1.3 |
0.531 |
1 |
0 |
0 |
0.035 |
21 |
|
A |
9 |
4 |
15210 |
◊ |
[CU]A:502 |
z,x,y |
5_555 |
1 |
1 |
125 |
31.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.079 |
22 |
|
[CU]A:502 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
15210 |
29.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.091 |
23 |
|
[NO]A:506 |
2 |
1 |
129 |
f |
[NO2]A:505 |
x,y,z |
1_555 |
3 |
1 |
148 |
29.1 |
-0.8 |
0.866 |
0 |
0 |
0 |
0.016 |
24 |
|
[NO2]A:509 |
2 |
1 |
147 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
15210 |
28.8 |
0.5 |
0.871 |
1 |
0 |
0 |
0.000 |
25 |
|
[NO]A:506 |
2 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
15210 |
25.6 |
-0.7 |
0.598 |
0 |
0 |
0 |
0.015 |
26 |
|
[NO2]A:505 |
3 |
1 |
148 |
f |
[CU]A:502 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.048 |
27 |
|
[NO]A:506 |
2 |
1 |
129 |
f |
[CU]A:502 |
x,y,z |
1_555 |
1 |
1 |
125 |
19.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.049 |
28 |
|
A |
3 |
2 |
15210 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
3 |
2 |
15210 |
15.7 |
0.3 |
0.732 |
0 |
0 |
0 |
0.000 |
29 |
|
[NO2]A:508 |
1 |
1 |
147 |
◊ |
A |
z-1/2,-x-1/2,-y |
6_445 |
1 |
1 |
15210 |
10.4 |
0.5 |
0.974 |
0 |
0 |
0 |
0.000 |
30 |
|
[NO2]A:512 |
1 |
1 |
148 |
f |
A |
-z+1/2,-x,y+1/2 |
7_555 |
1 |
1 |
15210 |
6.9 |
0.2 |
0.911 |
0 |
0 |
0 |
0.000 |
31 |
|
[NO2]A:511 |
2 |
1 |
146 |
f |
[NO2]A:507 |
x,y,z |
1_555 |
2 |
1 |
147 |
5.0 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
32 |
|
[NO2]A:507 |
1 |
1 |
147 |
fx |
[NO2]A:507 |
z,x,y |
5_555 |
1 |
1 |
147 |
3.2 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
|