| ## |
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 |
83 |
23 |
10089 |
◊ |
A |
-x,y,-z+1 |
2_556 |
82 |
23 |
10089 |
764.3 |
1.4 |
0.750 |
10 |
0 |
0 |
0.000 |
| 2 |
2 |
|
B |
72 |
21 |
9622 |
◊ |
A |
x,y,z |
1_555 |
53 |
15 |
10089 |
580.2 |
-3.0 |
0.364 |
5 |
0 |
0 |
0.000 |
3 |
|
B |
49 |
13 |
9622 |
◊ |
A |
-x,y,-z |
2_555 |
74 |
20 |
10089 |
566.9 |
-3.6 |
0.301 |
5 |
0 |
0 |
0.000 |
| Average: |
573.5 |
-3.3 |
0.332 |
5 |
0 |
0 |
0.000 |
| 3 |
4 |
|
A |
41 |
12 |
10089 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
32 |
8 |
9622 |
385.0 |
-0.9 |
0.433 |
6 |
0 |
0 |
0.000 |
| 4 |
5 |
|
[ATP]B:201 |
29 |
1 |
591 |
f |
B |
x,y,z |
1_555 |
41 |
14 |
9622 |
320.6 |
-2.8 |
0.526 |
8 |
0 |
0 |
0.026 |
6 |
|
[ATP]A:201 |
28 |
1 |
589 |
f |
A |
x,y,z |
1_555 |
45 |
15 |
10089 |
318.1 |
-3.4 |
0.478 |
7 |
0 |
0 |
0.026 |
| Average: |
319.3 |
-3.1 |
0.502 |
8 |
0 |
0 |
0.026 |
| 5 |
7 |
|
B |
22 |
7 |
9622 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
22 |
7 |
9622 |
232.9 |
3.8 |
0.909 |
2 |
10 |
0 |
0.000 |
| 6 |
8 |
|
[ATP]B:202 |
24 |
1 |
597 |
f |
B |
x,y,z |
1_555 |
25 |
7 |
9622 |
216.7 |
0.8 |
0.583 |
1 |
0 |
0 |
0.000 |
| 7 |
9 |
|
A |
22 |
6 |
10089 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
20 |
6 |
9622 |
176.3 |
-2.1 |
0.339 |
3 |
4 |
0 |
0.000 |
| 8 |
10 |
|
A |
8 |
2 |
10089 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
14 |
5 |
9622 |
89.2 |
1.4 |
0.764 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[CL]A:202 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
10089 |
80.0 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.021 |
| 10 |
12 |
|
[ATP]A:201 |
10 |
1 |
589 |
◊ |
A |
-x,y,-z+1 |
2_556 |
7 |
2 |
10089 |
71.0 |
2.3 |
0.775 |
4 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[CL]A:205 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
10089 |
64.7 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.033 |
14 |
|
[CL]B:204 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
9622 |
64.4 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.033 |
| Average: |
64.5 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.033 |
| 12 |
15 |
|
[ATP]B:202 |
6 |
1 |
597 |
◊ |
[ATP]B:201 |
-x+1,y,-z+1 |
2_656 |
9 |
1 |
591 |
60.9 |
-0.4 |
0.502 |
0 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[ATP]B:202 |
6 |
1 |
597 |
f |
[ATP]B:201 |
x,y,z |
1_555 |
7 |
1 |
591 |
58.9 |
0.1 |
0.540 |
1 |
0 |
0 |
0.001 |
| 14 |
17 |
|
[CL]A:204 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
10089 |
53.3 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.015 |
| 15 |
18 |
|
[CL]A:203 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
10089 |
51.0 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.013 |
| 16 |
19 |
|
[ATP]B:202 |
8 |
1 |
597 |
◊ |
[ATP]B:202 |
-x+1,y,-z+1 |
2_656 |
8 |
1 |
597 |
50.8 |
1.0 |
0.599 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[MG]A:206 |
1 |
1 |
98 |
f |
[ATP]A:201 |
x,y,z |
1_555 |
7 |
1 |
589 |
43.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.020 |
21 |
|
[MG]B:203 |
1 |
1 |
98 |
f |
[ATP]B:201 |
x,y,z |
1_555 |
4 |
1 |
591 |
34.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.020 |
| Average: |
39.0 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.020 |
| 18 |
22 |
|
[ATP]B:202 |
4 |
1 |
597 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
5 |
2 |
9622 |
34.2 |
1.3 |
0.748 |
1 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[ATP]B:202 |
5 |
1 |
597 |
◊ |
[MG]B:203 |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
98 |
29.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[CL]B:204 |
1 |
1 |
125 |
f |
[ATP]B:201 |
x,y,z |
1_555 |
1 |
1 |
591 |
23.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.015 |
25 |
|
[CL]A:205 |
1 |
1 |
125 |
f |
[ATP]A:201 |
x,y,z |
1_555 |
2 |
1 |
589 |
22.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
22.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.015 |
| 21 |
26 |
|
[MG]A:206 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
10089 |
18.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.002 |
27 |
|
[MG]B:203 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
9622 |
14.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.002 |
| Average: |
16.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.002 |
| 22 |
28 |
|
[MG]A:206 |
1 |
1 |
98 |
◊ |
A |
-x,y,-z+1 |
2_556 |
2 |
1 |
10089 |
15.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 23 |
29 |
|
[ATP]B:202 |
1 |
1 |
597 |
f |
[MG]B:203 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.0 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.004 |
|