| ## |
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 |
136 |
38 |
15545 |
◊ |
A |
x,y,z |
1_555 |
135 |
37 |
15459 |
1368.7 |
-7.3 |
0.303 |
21 |
11 |
0 |
0.264 |
| 2 |
2 |
|
B |
47 |
15 |
15545 |
◊ |
A |
x,y-1,z |
1_545 |
52 |
21 |
15459 |
479.8 |
1.4 |
0.582 |
6 |
7 |
0 |
0.000 |
3 |
|
B |
59 |
21 |
15545 |
◊ |
A |
x-1,y,z |
1_455 |
44 |
15 |
15459 |
473.0 |
0.0 |
0.544 |
10 |
1 |
0 |
0.000 |
| Average: |
476.4 |
0.7 |
0.563 |
8 |
4 |
0 |
0.000 |
| 3 |
4 |
|
[ATP]B:400 |
31 |
1 |
604 |
f |
B |
x,y,z |
1_555 |
58 |
26 |
15545 |
435.6 |
-0.1 |
0.655 |
11 |
0 |
0 |
0.160 |
5 |
|
[ATP]A:400 |
31 |
1 |
606 |
f |
A |
x,y,z |
1_555 |
59 |
25 |
15459 |
422.5 |
-1.1 |
0.619 |
11 |
0 |
0 |
0.160 |
| Average: |
429.0 |
-0.6 |
0.637 |
11 |
0 |
0 |
0.160 |
| 4 |
6 |
|
B |
36 |
10 |
15545 |
◊ |
A |
x-1,y-1,z+1 |
1_446 |
39 |
11 |
15459 |
305.2 |
-1.8 |
0.408 |
2 |
2 |
0 |
0.000 |
| 5 |
7 |
|
B |
28 |
10 |
15545 |
x |
B |
x-1,y,z |
1_455 |
32 |
10 |
15545 |
264.2 |
-0.6 |
0.549 |
3 |
0 |
0 |
0.000 |
8 |
|
A |
33 |
11 |
15459 |
x |
A |
x,y-1,z |
1_545 |
29 |
10 |
15459 |
261.0 |
-0.7 |
0.550 |
2 |
1 |
0 |
0.000 |
| Average: |
262.6 |
-0.6 |
0.550 |
3 |
1 |
0 |
0.000 |
| 6 |
9 |
|
B |
27 |
10 |
15545 |
◊ |
A |
x,y-1,z+1 |
1_546 |
24 |
7 |
15459 |
234.6 |
-0.5 |
0.522 |
2 |
0 |
0 |
0.000 |
| 7 |
10 |
|
B |
7 |
1 |
15545 |
◊ |
A |
x-1,y,z+1 |
1_456 |
6 |
2 |
15459 |
56.3 |
0.9 |
0.684 |
0 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
15545 |
39.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.128 |
12 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
15459 |
39.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.128 |
| Average: |
39.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.128 |
| 9 |
13 |
|
[MG]B:401 |
1 |
1 |
98 |
f |
[ATP]B:400 |
x,y,z |
1_555 |
7 |
1 |
604 |
34.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.136 |
14 |
|
[MG]A:401 |
1 |
1 |
98 |
f |
[ATP]A:400 |
x,y,z |
1_555 |
7 |
1 |
606 |
34.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.136 |
| Average: |
34.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.136 |
| 10 |
15 |
|
[MG]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
15545 |
33.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.121 |
16 |
|
[MG]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
15459 |
33.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.121 |
| Average: |
33.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.121 |
| 11 |
17 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
[ATP]A:400 |
x,y,z |
1_555 |
5 |
1 |
606 |
33.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.131 |
18 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
[ATP]B:400 |
x,y,z |
1_555 |
5 |
1 |
604 |
33.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.131 |
| Average: |
33.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.131 |
| 12 |
19 |
|
B |
3 |
1 |
15545 |
x |
B |
x,y-1,z |
1_545 |
3 |
1 |
15545 |
18.3 |
0.5 |
0.800 |
0 |
0 |
0 |
0.000 |
20 |
|
A |
1 |
1 |
15459 |
x |
A |
x-1,y,z |
1_455 |
1 |
1 |
15459 |
16.2 |
0.4 |
0.877 |
0 |
0 |
0 |
0.000 |
| Average: |
17.2 |
0.4 |
0.838 |
0 |
0 |
0 |
0.000 |
| 13 |
21 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
[MG]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.031 |
| 14 |
22 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
[MG]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.030 |
|