| ## |
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 |
219 |
59 |
16621 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
217 |
59 |
16621 |
1944.4 |
-1.7 |
0.596 |
42 |
24 |
0 |
0.105 |
2 |
|
A |
52 |
15 |
16621 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
52 |
15 |
16621 |
493.2 |
-5.6 |
0.167 |
6 |
0 |
0 |
0.000 |
3 |
|
A |
25 |
9 |
16621 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
25 |
9 |
16621 |
241.4 |
2.4 |
0.813 |
0 |
0 |
0 |
0.000 |
4 |
|
A |
25 |
7 |
16621 |
x |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
21 |
9 |
16621 |
237.7 |
0.7 |
0.603 |
2 |
2 |
0 |
0.000 |
5 |
|
[PAH]A:600 |
9 |
1 |
264 |
f |
A |
x,y,z |
1_555 |
29 |
15 |
16621 |
142.0 |
-1.0 |
0.642 |
9 |
0 |
0 |
0.043 |
6 |
|
[EDO]A:700 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
7 |
16621 |
100.2 |
3.3 |
0.482 |
1 |
0 |
0 |
0.000 |
7 |
|
A |
5 |
2 |
16621 |
x |
A |
x-1/2,-y+1/2,-z+1 |
8_456 |
12 |
6 |
16621 |
90.3 |
1.8 |
0.791 |
1 |
1 |
0 |
0.000 |
8 |
|
A |
4 |
3 |
16621 |
x |
A |
x-1/2,y+1/2,z |
5_455 |
5 |
3 |
16621 |
41.4 |
0.9 |
0.741 |
0 |
0 |
0 |
0.000 |
9 |
|
[ZN]A:550 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
6 |
2 |
16621 |
39.6 |
-22.1 |
0.000 |
0 |
0 |
0 |
0.193 |
10 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
16621 |
36.0 |
-23.1 |
0.000 |
0 |
0 |
0 |
0.202 |
11 |
|
[ZN]A:500 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
8 |
16621 |
33.7 |
-24.1 |
0.000 |
0 |
0 |
0 |
0.211 |
12 |
|
A |
3 |
1 |
16621 |
◊ |
[ZN]A:550 |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
1 |
1 |
98 |
31.9 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.000 |
13 |
|
[EDO]A:700 |
2 |
1 |
185 |
f |
A |
-x,y,-z+1/2 |
3_555 |
3 |
2 |
16621 |
29.5 |
1.1 |
0.926 |
0 |
0 |
0 |
0.000 |
14 |
|
[PAH]A:600 |
4 |
1 |
264 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.2 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.121 |
15 |
|
[PAH]A:600 |
4 |
1 |
264 |
f |
[ZN]A:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.2 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.102 |
16 |
|
[ZN]A:550 |
1 |
1 |
98 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
1 |
1 |
16621 |
8.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
17 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
[ZN]A:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.1 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.057 |
|