| ## |
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 |
76 |
26 |
16190 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
76 |
23 |
16190 |
732.7 |
-4.8 |
0.347 |
1 |
3 |
0 |
0.000 |
2 |
|
C |
71 |
23 |
16243 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
76 |
28 |
16243 |
715.4 |
-4.4 |
0.366 |
2 |
4 |
0 |
0.000 |
| Average: |
724.0 |
-4.6 |
0.356 |
2 |
4 |
0 |
0.000 |
| 2 |
3 |
|
B |
53 |
14 |
5390 |
◊ |
C |
x,y,z |
1_555 |
55 |
15 |
16243 |
539.9 |
-1.0 |
0.608 |
4 |
0 |
0 |
0.000 |
4 |
|
D |
52 |
13 |
5232 |
◊ |
A |
x,y,z |
1_555 |
53 |
14 |
16190 |
502.5 |
-0.7 |
0.634 |
4 |
1 |
0 |
0.000 |
| Average: |
521.2 |
-0.8 |
0.621 |
4 |
1 |
0 |
0.000 |
| 3 |
5 |
|
D |
47 |
17 |
5232 |
◊ |
C |
x,y,z |
1_555 |
57 |
17 |
16243 |
518.4 |
-3.4 |
0.420 |
2 |
2 |
0 |
0.000 |
6 |
|
B |
43 |
15 |
5390 |
◊ |
A |
x,y,z |
1_555 |
58 |
18 |
16190 |
509.0 |
-3.2 |
0.404 |
1 |
2 |
0 |
0.000 |
| Average: |
513.7 |
-3.3 |
0.412 |
2 |
2 |
0 |
0.000 |
| 4 |
7 |
|
[ATP]C:402 |
31 |
1 |
643 |
f |
C |
x,y,z |
1_555 |
74 |
24 |
16243 |
458.0 |
-2.8 |
0.532 |
11 |
0 |
0 |
0.038 |
8 |
|
[ATP]A:402 |
31 |
1 |
643 |
f |
A |
x,y,z |
1_555 |
72 |
24 |
16190 |
452.4 |
-3.0 |
0.524 |
10 |
0 |
0 |
0.038 |
| Average: |
455.2 |
-2.9 |
0.528 |
11 |
0 |
0 |
0.038 |
| 5 |
9 |
|
[LAB]A:401 |
24 |
1 |
565 |
f |
A |
x,y,z |
1_555 |
49 |
17 |
16190 |
396.0 |
-1.8 |
0.401 |
1 |
0 |
0 |
0.011 |
10 |
|
[LAB]C:401 |
24 |
1 |
566 |
f |
C |
x,y,z |
1_555 |
49 |
18 |
16243 |
389.8 |
-1.5 |
0.407 |
1 |
0 |
0 |
0.011 |
| Average: |
392.9 |
-1.6 |
0.404 |
1 |
0 |
0 |
0.011 |
| 6 |
11 |
|
C |
29 |
9 |
16243 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
28 |
11 |
16190 |
276.5 |
0.5 |
0.637 |
3 |
1 |
0 |
0.000 |
12 |
|
A |
26 |
8 |
16190 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
28 |
10 |
16243 |
233.3 |
1.7 |
0.782 |
2 |
4 |
0 |
0.000 |
| Average: |
254.9 |
1.1 |
0.710 |
3 |
3 |
0 |
0.000 |
| 7 |
13 |
|
C |
18 |
7 |
16243 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
16190 |
114.4 |
0.7 |
0.723 |
0 |
0 |
0 |
0.000 |
| 8 |
14 |
|
D |
9 |
5 |
5232 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
5390 |
64.3 |
2.2 |
0.867 |
0 |
0 |
0 |
0.000 |
| 9 |
15 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
16190 |
53.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.028 |
16 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
16243 |
53.5 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.028 |
| Average: |
53.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.028 |
| 10 |
17 |
|
[ATP]A:402 |
5 |
1 |
643 |
f |
[LAB]A:401 |
x,y,z |
1_555 |
8 |
1 |
565 |
52.4 |
-0.3 |
0.457 |
0 |
0 |
0 |
0.001 |
18 |
|
[ATP]C:402 |
6 |
1 |
643 |
f |
[LAB]C:401 |
x,y,z |
1_555 |
8 |
1 |
566 |
52.3 |
-0.3 |
0.453 |
0 |
0 |
0 |
0.001 |
| Average: |
52.4 |
-0.3 |
0.455 |
0 |
0 |
0 |
0.001 |
| 11 |
19 |
|
C |
4 |
2 |
16243 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
5232 |
40.6 |
0.6 |
0.801 |
0 |
2 |
0 |
0.000 |
20 |
|
B |
3 |
1 |
5390 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
16190 |
36.4 |
0.1 |
0.541 |
0 |
1 |
0 |
0.000 |
| Average: |
38.5 |
0.3 |
0.671 |
0 |
2 |
0 |
0.000 |
| 12 |
21 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
[ATP]A:402 |
x,y,z |
1_555 |
4 |
1 |
643 |
34.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.023 |
22 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
[ATP]C:402 |
x,y,z |
1_555 |
3 |
1 |
643 |
34.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
34.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.023 |
| 13 |
23 |
|
C |
1 |
1 |
16243 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
5232 |
1.1 |
-0.0 |
0.581 |
0 |
0 |
0 |
0.000 |
|