| ## |
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 |
|
A |
70 |
16 |
20206 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
67 |
16 |
18716 |
683.3 |
-6.3 |
0.153 |
6 |
2 |
0 |
0.000 |
| 2 |
2 |
|
B |
44 |
18 |
18716 |
◊ |
A |
x,y,z |
1_555 |
54 |
23 |
20206 |
466.5 |
4.4 |
0.818 |
5 |
2 |
0 |
0.000 |
| 3 |
3 |
|
A |
39 |
12 |
20206 |
◊ |
B |
x,y,z-1 |
1_554 |
36 |
12 |
18716 |
412.7 |
-6.2 |
0.073 |
2 |
0 |
0 |
0.000 |
4 |
|
A |
33 |
12 |
20206 |
◊ |
B |
x-1,y,z-1 |
1_454 |
43 |
12 |
18716 |
402.3 |
-6.2 |
0.076 |
1 |
1 |
0 |
0.000 |
| Average: |
407.5 |
-6.2 |
0.075 |
2 |
1 |
0 |
0.000 |
| 4 |
5 |
|
[ATP]A:401 |
29 |
1 |
575 |
f |
A |
x,y,z |
1_555 |
42 |
19 |
20206 |
332.1 |
1.1 |
0.642 |
11 |
0 |
0 |
0.031 |
| 5 |
6 |
|
[ATP]B:401 |
28 |
1 |
573 |
f |
B |
x,y,z |
1_555 |
43 |
18 |
18716 |
318.9 |
2.0 |
0.689 |
9 |
0 |
0 |
0.016 |
| 6 |
7 |
|
B |
22 |
6 |
18716 |
◊ |
A |
-x,y-1/2,-z-1 |
2_544 |
25 |
7 |
20206 |
190.9 |
0.3 |
0.575 |
1 |
1 |
0 |
0.000 |
| 7 |
8 |
|
A |
18 |
6 |
20206 |
x |
A |
x-1,y,z-1 |
1_454 |
15 |
3 |
20206 |
136.2 |
0.4 |
0.594 |
0 |
0 |
0 |
0.000 |
| 8 |
9 |
|
B |
4 |
2 |
18716 |
x |
B |
-x,y-1/2,-z |
2_545 |
11 |
4 |
18716 |
62.1 |
2.2 |
0.808 |
2 |
1 |
0 |
0.000 |
10 |
|
A |
10 |
6 |
20206 |
x |
A |
-x-1,y-1/2,-z-2 |
2_443 |
7 |
2 |
20206 |
60.3 |
2.3 |
0.849 |
2 |
0 |
0 |
0.000 |
| Average: |
61.2 |
2.2 |
0.829 |
2 |
1 |
0 |
0.000 |
| 9 |
11 |
|
B |
15 |
5 |
18716 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
3 |
20206 |
58.1 |
0.2 |
0.611 |
0 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
18716 |
43.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.041 |
13 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
20206 |
22.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.041 |
| Average: |
33.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.041 |
| 11 |
14 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
[ATP]A:401 |
x,y,z |
1_555 |
6 |
1 |
575 |
39.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.049 |
15 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
[ATP]B:401 |
x,y,z |
1_555 |
5 |
1 |
573 |
36.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.049 |
| Average: |
38.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.049 |
| 12 |
16 |
|
A |
1 |
1 |
20206 |
x |
A |
-x,y-1/2,-z-1 |
2_544 |
2 |
1 |
20206 |
16.0 |
-0.1 |
0.490 |
0 |
0 |
0 |
0.000 |
|