## |
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 |
85 |
26 |
13161 |
◊ |
A |
x,y,z |
1_555 |
86 |
26 |
13149 |
826.9 |
0.8 |
0.603 |
18 |
4 |
0 |
0.073 |
2 |
2 |
|
A |
86 |
26 |
13149 |
◊ |
A |
-x,-y,z |
2_555 |
86 |
26 |
13149 |
776.4 |
-0.8 |
0.491 |
8 |
8 |
0 |
0.000 |
3 |
3 |
|
A |
40 |
14 |
13149 |
x |
A |
x,y,z-1 |
1_554 |
39 |
13 |
13149 |
350.8 |
0.8 |
0.577 |
4 |
2 |
0 |
0.000 |
4 |
|
B |
37 |
12 |
13161 |
x |
B |
x,y,z-1 |
1_554 |
36 |
13 |
13161 |
339.7 |
-0.9 |
0.398 |
3 |
2 |
0 |
0.000 |
Average: |
345.2 |
-0.1 |
0.487 |
4 |
2 |
0 |
0.000 |
4 |
5 |
|
[ATP]B:1302 |
29 |
1 |
627 |
f |
B |
x,y,z |
1_555 |
44 |
18 |
13161 |
317.5 |
-4.4 |
0.409 |
14 |
0 |
0 |
0.189 |
6 |
|
[ATP]A:1304 |
29 |
1 |
623 |
f |
A |
x,y,z |
1_555 |
45 |
20 |
13149 |
310.7 |
-4.3 |
0.410 |
12 |
0 |
0 |
0.189 |
Average: |
314.1 |
-4.3 |
0.409 |
13 |
0 |
0 |
0.189 |
5 |
7 |
|
A |
28 |
9 |
13149 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
24 |
9 |
13161 |
235.7 |
-1.9 |
0.313 |
0 |
0 |
0 |
0.000 |
6 |
8 |
|
A |
30 |
8 |
13149 |
◊ |
B |
x-1,y,z |
1_455 |
24 |
11 |
13161 |
230.2 |
-0.5 |
0.468 |
3 |
5 |
0 |
0.000 |
7 |
9 |
|
B |
17 |
6 |
13161 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
18 |
7 |
13161 |
156.8 |
-1.0 |
0.392 |
1 |
2 |
0 |
0.000 |
8 |
10 |
|
[SO4]B:1301 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
13161 |
89.2 |
-13.1 |
0.826 |
6 |
0 |
0 |
0.147 |
9 |
11 |
|
[SO4]A:1302 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
13149 |
88.4 |
-13.2 |
0.811 |
5 |
0 |
0 |
0.143 |
10 |
12 |
|
[SO4]A:1303 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
13149 |
83.8 |
-10.7 |
0.850 |
2 |
0 |
0 |
0.108 |
11 |
13 |
|
[SO4]A:1303 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
13161 |
75.5 |
-8.6 |
0.889 |
2 |
0 |
0 |
0.089 |
12 |
14 |
|
A |
6 |
3 |
13149 |
◊ |
B |
x-1/2,-y+1/2,-z+2 |
4_457 |
6 |
1 |
13161 |
59.5 |
0.3 |
0.664 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
[MN]A:502 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
13149 |
54.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.068 |
16 |
|
[MN]B:504 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
13161 |
54.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.068 |
Average: |
54.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.068 |
14 |
17 |
|
[MN]A:501 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
13149 |
47.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.053 |
18 |
|
[MN]B:503 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
13161 |
46.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.053 |
Average: |
46.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.053 |
15 |
19 |
|
[ATP]B:1302 |
4 |
1 |
627 |
f |
[MN]B:503 |
x,y,z |
1_555 |
1 |
1 |
123 |
39.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.054 |
20 |
|
[ATP]A:1304 |
4 |
1 |
623 |
f |
[MN]A:501 |
x,y,z |
1_555 |
1 |
1 |
123 |
39.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.054 |
Average: |
39.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.054 |
16 |
21 |
|
[ATP]A:1304 |
5 |
1 |
623 |
f |
[MN]A:502 |
x,y,z |
1_555 |
1 |
1 |
123 |
21.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.022 |
22 |
|
[ATP]B:1302 |
5 |
1 |
627 |
f |
[MN]B:504 |
x,y,z |
1_555 |
1 |
1 |
123 |
19.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
20.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.022 |
17 |
23 |
|
[MN]A:502 |
1 |
1 |
123 |
f |
[MN]A:501 |
x,y,z |
1_555 |
1 |
1 |
123 |
18.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.017 |
18 |
24 |
|
[MN]B:504 |
1 |
1 |
123 |
f |
[MN]B:503 |
x,y,z |
1_555 |
1 |
1 |
123 |
17.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.017 |
19 |
25 |
|
[SO4]A:1302 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
13161 |
13.7 |
-1.7 |
0.685 |
0 |
0 |
0 |
0.016 |
20 |
26 |
|
B |
1 |
1 |
13161 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
13149 |
6.2 |
-0.2 |
0.268 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
[SO4]B:1301 |
1 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13149 |
5.4 |
-0.6 |
0.733 |
0 |
0 |
0 |
0.006 |
22 |
28 |
|
[ATP]B:1302 |
1 |
1 |
627 |
◊ |
[ATP]A:1304 |
x,y,z |
1_555 |
1 |
1 |
623 |
1.6 |
0.1 |
0.410 |
0 |
0 |
0 |
0.000 |
|