## |
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 |
|
B |
211 |
56 |
16165 |
◊ |
A |
x,y,z |
1_555 |
217 |
57 |
16197 |
1966.9 |
-8.3 |
0.292 |
39 |
18 |
0 |
0.350 |
2 |
2 |
|
A |
57 |
20 |
16197 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
52 |
20 |
16165 |
428.7 |
1.1 |
0.478 |
2 |
0 |
0 |
0.000 |
3 |
3 |
|
A |
41 |
13 |
16197 |
◊ |
B |
x-1,y,z |
1_455 |
34 |
15 |
16165 |
289.6 |
0.2 |
0.606 |
3 |
0 |
0 |
0.000 |
4 |
4 |
|
B |
36 |
12 |
16165 |
x |
B |
-x+1/2,-y,z-1/2 |
2_554 |
33 |
11 |
16165 |
257.4 |
-1.1 |
0.454 |
0 |
0 |
0 |
0.000 |
5 |
5 |
|
A |
25 |
7 |
16197 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
20 |
8 |
16197 |
214.9 |
-1.7 |
0.255 |
2 |
2 |
0 |
0.000 |
6 |
6 |
|
[PAH]B:503 |
9 |
1 |
272 |
f |
B |
x,y,z |
1_555 |
29 |
15 |
16165 |
146.9 |
-2.7 |
0.569 |
9 |
0 |
0 |
0.147 |
7 |
|
[PAH]A:503 |
9 |
1 |
272 |
f |
A |
x,y,z |
1_555 |
28 |
16 |
16197 |
146.5 |
-0.8 |
0.705 |
10 |
0 |
0 |
0.147 |
Average: |
146.7 |
-1.7 |
0.637 |
10 |
0 |
0 |
0.147 |
7 |
8 |
|
B |
8 |
4 |
16165 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
5 |
16165 |
89.6 |
1.9 |
0.870 |
1 |
2 |
0 |
0.000 |
8 |
9 |
|
A |
8 |
3 |
16197 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
9 |
3 |
16165 |
71.9 |
-0.6 |
0.340 |
1 |
0 |
0 |
0.000 |
9 |
10 |
|
A |
9 |
3 |
16197 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
7 |
2 |
16165 |
50.0 |
-0.1 |
0.553 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
16165 |
36.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.155 |
12 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
16197 |
36.9 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.155 |
Average: |
36.9 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.155 |
11 |
13 |
|
[MG]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
9 |
16197 |
34.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.142 |
14 |
|
[MG]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
9 |
16165 |
34.0 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.142 |
Average: |
34.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.142 |
12 |
15 |
|
[PAH]B:503 |
5 |
1 |
272 |
f |
[MG]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.094 |
16 |
|
[PAH]A:503 |
4 |
1 |
272 |
f |
[MG]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.094 |
Average: |
28.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.094 |
13 |
17 |
|
[PAH]B:503 |
4 |
1 |
272 |
f |
[MG]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.070 |
18 |
|
[PAH]A:503 |
4 |
1 |
272 |
f |
[MG]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.070 |
Average: |
27.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.070 |
14 |
19 |
|
A |
3 |
1 |
16197 |
x |
A |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
1 |
16197 |
19.1 |
0.4 |
0.795 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
[MG]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.021 |
16 |
21 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[MG]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.021 |
|