| ## |
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 |
|
D |
187 |
45 |
16200 |
◊ |
C |
x,y,z |
1_555 |
184 |
46 |
16107 |
1787.8 |
-2.9 |
0.512 |
26 |
7 |
0 |
0.225 |
2 |
|
B |
184 |
44 |
16159 |
◊ |
A |
x,y,z |
1_555 |
185 |
46 |
16067 |
1784.9 |
-1.7 |
0.581 |
28 |
7 |
0 |
0.225 |
| Average: |
1786.4 |
-2.3 |
0.546 |
27 |
7 |
0 |
0.225 |
| 2 |
3 |
|
C |
79 |
23 |
16107 |
◊ |
A |
x-1,y,z |
1_455 |
82 |
23 |
16067 |
671.7 |
-1.0 |
0.546 |
6 |
2 |
0 |
0.000 |
| 3 |
4 |
|
A |
53 |
19 |
16067 |
◊ |
D |
x,y,z-1 |
1_554 |
58 |
17 |
16200 |
453.5 |
0.5 |
0.601 |
1 |
3 |
0 |
0.000 |
5 |
|
C |
54 |
17 |
16107 |
◊ |
B |
x,y,z |
1_555 |
54 |
16 |
16159 |
426.0 |
-0.4 |
0.568 |
5 |
4 |
0 |
0.000 |
| Average: |
439.8 |
0.1 |
0.585 |
3 |
4 |
0 |
0.000 |
| 4 |
6 |
|
[ATP]C:400 |
31 |
1 |
601 |
f |
C |
x,y,z |
1_555 |
63 |
26 |
16107 |
428.2 |
-2.5 |
0.545 |
10 |
0 |
0 |
0.206 |
7 |
|
[ATP]D:400 |
31 |
1 |
613 |
f |
D |
x,y,z |
1_555 |
58 |
25 |
16200 |
423.5 |
-2.0 |
0.539 |
10 |
0 |
0 |
0.206 |
8 |
|
[ATP]A:400 |
31 |
1 |
601 |
f |
A |
x,y,z |
1_555 |
63 |
26 |
16067 |
422.4 |
-2.3 |
0.522 |
11 |
0 |
0 |
0.206 |
9 |
|
[ATP]B:400 |
31 |
1 |
610 |
f |
B |
x,y,z |
1_555 |
60 |
25 |
16159 |
419.2 |
-1.9 |
0.516 |
12 |
0 |
0 |
0.206 |
| Average: |
423.3 |
-2.2 |
0.531 |
11 |
0 |
0 |
0.206 |
| 5 |
10 |
|
B |
43 |
15 |
16159 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
49 |
12 |
16067 |
401.9 |
-1.8 |
0.418 |
5 |
1 |
0 |
0.000 |
11 |
|
C |
54 |
13 |
16107 |
◊ |
D |
-x,y-1/2,-z+2 |
2_547 |
45 |
15 |
16200 |
401.0 |
-1.8 |
0.425 |
5 |
1 |
0 |
0.000 |
| Average: |
401.5 |
-1.8 |
0.421 |
5 |
1 |
0 |
0.000 |
| 6 |
12 |
|
B |
50 |
16 |
16159 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
44 |
12 |
16200 |
390.1 |
-0.0 |
0.588 |
4 |
2 |
0 |
0.000 |
| 7 |
13 |
|
B |
19 |
5 |
16159 |
◊ |
A |
x-1,y,z |
1_455 |
19 |
7 |
16067 |
161.4 |
2.0 |
0.714 |
2 |
1 |
0 |
0.000 |
| 8 |
14 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
16159 |
44.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.143 |
15 |
|
[MG]C:402 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
16107 |
43.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.143 |
16 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
16067 |
43.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.143 |
17 |
|
[MG]D:402 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
16200 |
39.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.143 |
| Average: |
43.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.143 |
| 9 |
18 |
|
A |
3 |
1 |
16067 |
◊ |
C |
x,y,z-1 |
1_554 |
5 |
1 |
16107 |
36.1 |
1.0 |
0.591 |
0 |
2 |
0 |
0.000 |
19 |
|
C |
2 |
1 |
16107 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
16067 |
25.7 |
0.1 |
0.439 |
0 |
0 |
0 |
0.000 |
| Average: |
30.9 |
0.5 |
0.515 |
0 |
1 |
0 |
0.000 |
| 10 |
20 |
|
[MG]B:401 |
1 |
1 |
98 |
f |
[ATP]B:400 |
x,y,z |
1_555 |
6 |
1 |
610 |
35.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.142 |
21 |
|
[MG]A:401 |
1 |
1 |
98 |
f |
[ATP]A:400 |
x,y,z |
1_555 |
6 |
1 |
601 |
35.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.142 |
22 |
|
[MG]D:401 |
1 |
1 |
98 |
f |
[ATP]D:400 |
x,y,z |
1_555 |
8 |
1 |
613 |
34.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.142 |
23 |
|
[MG]C:401 |
1 |
1 |
98 |
f |
[ATP]C:400 |
x,y,z |
1_555 |
6 |
1 |
601 |
33.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.142 |
| Average: |
35.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.142 |
| 11 |
24 |
|
[MG]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
16067 |
33.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.120 |
25 |
|
[MG]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
16107 |
32.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.120 |
26 |
|
[MG]D:401 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
16200 |
32.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.120 |
27 |
|
[MG]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
16159 |
31.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.120 |
| Average: |
32.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.120 |
| 12 |
28 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
[ATP]B:400 |
x,y,z |
1_555 |
6 |
1 |
610 |
32.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.121 |
29 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
[ATP]A:400 |
x,y,z |
1_555 |
4 |
1 |
601 |
32.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.121 |
30 |
|
[MG]D:402 |
1 |
1 |
98 |
f |
[ATP]D:400 |
x,y,z |
1_555 |
7 |
1 |
613 |
31.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.121 |
31 |
|
[MG]C:402 |
1 |
1 |
98 |
f |
[ATP]C:400 |
x,y,z |
1_555 |
4 |
1 |
601 |
31.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.121 |
| Average: |
31.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.121 |
| 13 |
32 |
|
A |
3 |
1 |
16067 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
16200 |
12.4 |
0.0 |
0.602 |
0 |
0 |
0 |
0.000 |
33 |
|
B |
2 |
2 |
16159 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
3 |
2 |
16107 |
10.9 |
-0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
| Average: |
11.6 |
-0.0 |
0.571 |
0 |
0 |
0 |
0.000 |
| 14 |
34 |
|
[MG]C:402 |
1 |
1 |
98 |
f |
[MG]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.033 |
| 15 |
35 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
[MG]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.031 |
| 16 |
36 |
|
[MG]D:402 |
1 |
1 |
98 |
f |
[MG]D:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.031 |
| 17 |
37 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
[MG]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.022 |
|