| ## |
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 |
15259 |
x |
A |
z,x,y |
5_555 |
204 |
59 |
15259 |
1940.6 |
-18.0 |
0.158 |
32 |
13 |
0 |
0.731 |
2 |
|
A |
48 |
12 |
15259 |
x |
A |
-z+1/2,-x,y+1/2 |
7_555 |
51 |
16 |
15259 |
435.4 |
-3.0 |
0.398 |
1 |
3 |
0 |
0.000 |
3 |
|
A |
43 |
12 |
15259 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
46 |
14 |
15259 |
349.6 |
-3.8 |
0.342 |
1 |
1 |
0 |
0.000 |
4 |
|
A |
28 |
10 |
15259 |
x |
A |
z-1/2,-x-1/2,-y |
6_445 |
33 |
9 |
15259 |
227.3 |
-1.9 |
0.462 |
4 |
0 |
0 |
0.000 |
5 |
|
[ACT]A:504 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
15259 |
84.7 |
-0.3 |
0.651 |
1 |
0 |
0 |
0.017 |
6 |
|
[NO2]A:507 |
3 |
1 |
148 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
15259 |
78.1 |
1.0 |
0.743 |
1 |
0 |
0 |
0.000 |
7 |
|
[NO2]A:508 |
3 |
1 |
147 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
15259 |
78.0 |
1.4 |
0.810 |
3 |
0 |
0 |
0.000 |
8 |
|
[NO2]A:506 |
3 |
1 |
148 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
15259 |
68.7 |
1.8 |
0.915 |
1 |
0 |
0 |
0.000 |
9 |
|
[NO2]A:505 |
3 |
1 |
148 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
15259 |
53.4 |
0.7 |
0.797 |
1 |
0 |
0 |
0.000 |
10 |
|
A |
9 |
5 |
15259 |
◊ |
[NO2]A:503 |
z,x,y |
5_555 |
3 |
1 |
148 |
51.7 |
0.4 |
0.651 |
2 |
0 |
0 |
0.010 |
11 |
|
A |
8 |
3 |
15259 |
◊ |
[NO2]A:505 |
z,x,y |
5_555 |
3 |
1 |
148 |
42.9 |
1.1 |
0.929 |
1 |
0 |
0 |
0.000 |
12 |
|
[NO2]A:503 |
3 |
1 |
148 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
15259 |
41.2 |
0.3 |
0.669 |
1 |
0 |
0 |
0.004 |
13 |
|
A |
9 |
4 |
15259 |
◊ |
[CU]A:502 |
z,x,y |
5_555 |
1 |
1 |
125 |
36.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.099 |
14 |
|
[CU]A:502 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
15259 |
35.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.115 |
15 |
|
[NO2]A:503 |
3 |
1 |
148 |
f |
[CU]A:502 |
x,y,z |
1_555 |
1 |
1 |
125 |
27.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.059 |
16 |
|
A |
5 |
3 |
15259 |
◊ |
[NO2]A:508 |
z,x,y |
5_555 |
2 |
1 |
147 |
23.7 |
0.5 |
0.886 |
1 |
0 |
0 |
0.000 |
17 |
|
[NO2]A:506 |
2 |
1 |
148 |
◊ |
[NO2]A:505 |
x,y,z |
1_555 |
2 |
1 |
148 |
21.6 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
18 |
|
[NO2]A:506 |
3 |
1 |
148 |
◊ |
[NO2]A:505 |
z,x,y |
5_555 |
3 |
1 |
148 |
15.2 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
19 |
|
A |
3 |
2 |
15259 |
f |
[NO2]A:507 |
z,x,y |
5_555 |
1 |
1 |
148 |
15.2 |
0.0 |
0.655 |
0 |
0 |
0 |
0.000 |
20 |
|
A |
2 |
2 |
15259 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
2 |
2 |
15259 |
7.5 |
0.1 |
0.720 |
0 |
0 |
0 |
0.000 |
21 |
|
[NO2]A:506 |
2 |
1 |
148 |
◊ |
A |
z,x,y |
5_555 |
1 |
1 |
15259 |
7.0 |
0.2 |
0.922 |
0 |
0 |
0 |
0.000 |
22 |
|
[NO2]A:506 |
1 |
1 |
148 |
fx |
[NO2]A:506 |
z,x,y |
5_555 |
1 |
1 |
148 |
1.3 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|