## |
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 |
|
[ATP]B:303 |
30 |
1 |
621 |
f |
B |
x,y,z |
1_555 |
64 |
23 |
12950 |
415.3 |
-1.6 |
0.528 |
10 |
0 |
0 |
0.019 |
2 |
|
[ATP]A:304 |
30 |
1 |
620 |
f |
A |
x,y,z |
1_555 |
62 |
24 |
12866 |
405.0 |
-0.7 |
0.576 |
13 |
0 |
0 |
0.019 |
Average: |
410.1 |
-1.1 |
0.552 |
12 |
0 |
0 |
0.019 |
2 |
3 |
|
A |
39 |
10 |
12866 |
◊ |
B |
-x+3/2,y-1/2,-z+2 |
4_647 |
44 |
12 |
12950 |
349.7 |
-0.5 |
0.443 |
5 |
3 |
0 |
0.000 |
4 |
|
A |
35 |
11 |
12866 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
35 |
10 |
12950 |
326.9 |
-1.6 |
0.326 |
3 |
2 |
0 |
0.000 |
Average: |
338.3 |
-1.1 |
0.385 |
4 |
3 |
0 |
0.000 |
3 |
5 |
|
[SCM]B:304 |
22 |
1 |
489 |
f |
B |
x,y,z |
1_555 |
41 |
15 |
12950 |
287.5 |
-3.0 |
0.450 |
3 |
0 |
0 |
0.014 |
6 |
|
[SCM]A:305 |
22 |
1 |
494 |
f |
A |
x,y,z |
1_555 |
44 |
16 |
12866 |
285.5 |
-3.3 |
0.421 |
1 |
0 |
0 |
0.014 |
Average: |
286.5 |
-3.2 |
0.436 |
2 |
0 |
0 |
0.014 |
4 |
7 |
|
B |
31 |
7 |
12950 |
◊ |
A |
x,y,z |
1_555 |
27 |
8 |
12866 |
252.7 |
2.9 |
0.689 |
4 |
2 |
0 |
0.000 |
8 |
|
A |
27 |
7 |
12866 |
◊ |
B |
-x+1,y-1,-z+1 |
2_646 |
27 |
8 |
12950 |
252.4 |
3.3 |
0.721 |
6 |
2 |
0 |
0.000 |
Average: |
252.5 |
3.1 |
0.705 |
5 |
2 |
0 |
0.000 |
5 |
9 |
|
B |
23 |
7 |
12950 |
x |
B |
-x+3/2,y-1/2,-z+2 |
4_647 |
26 |
8 |
12950 |
224.0 |
0.5 |
0.573 |
1 |
0 |
0 |
0.000 |
10 |
|
A |
21 |
5 |
12866 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
24 |
7 |
12866 |
183.5 |
-0.1 |
0.499 |
2 |
0 |
0 |
0.000 |
Average: |
203.7 |
0.2 |
0.536 |
2 |
0 |
0 |
0.000 |
6 |
11 |
|
A |
14 |
4 |
12866 |
◊ |
B |
x-1/2,y-1/2,z-1 |
3_444 |
20 |
6 |
12950 |
158.2 |
-2.0 |
0.178 |
1 |
0 |
0 |
0.000 |
12 |
|
A |
18 |
5 |
12866 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
17 |
5 |
12950 |
158.2 |
-1.4 |
0.226 |
0 |
0 |
0 |
0.000 |
Average: |
158.2 |
-1.7 |
0.202 |
1 |
0 |
0 |
0.000 |
7 |
13 |
|
A |
12 |
5 |
12866 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
12 |
5 |
12866 |
119.0 |
3.7 |
0.931 |
4 |
4 |
0 |
0.000 |
14 |
|
B |
10 |
4 |
12950 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
10 |
4 |
12950 |
92.2 |
2.9 |
0.911 |
2 |
2 |
0 |
0.000 |
Average: |
105.6 |
3.3 |
0.921 |
3 |
3 |
0 |
0.000 |
8 |
15 |
|
[SCM]B:304 |
9 |
1 |
489 |
f |
[ATP]B:303 |
x,y,z |
1_555 |
10 |
1 |
621 |
68.0 |
-1.9 |
0.483 |
1 |
0 |
0 |
0.007 |
9 |
16 |
|
[NA]A:301 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
12866 |
63.6 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.020 |
17 |
|
[NA]B:301 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
12950 |
60.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.020 |
Average: |
61.9 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.020 |
10 |
18 |
|
[SCM]A:305 |
7 |
1 |
494 |
f |
[ATP]A:304 |
x,y,z |
1_555 |
8 |
1 |
620 |
60.7 |
-1.9 |
0.431 |
1 |
0 |
0 |
0.006 |
11 |
19 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
12866 |
34.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.018 |
20 |
|
[MG]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
12950 |
34.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.018 |
Average: |
34.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.018 |
12 |
21 |
|
[MG]A:303 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
12866 |
31.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.007 |
13 |
22 |
|
[ATP]B:303 |
3 |
1 |
621 |
f |
[MG]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.015 |
23 |
|
[ATP]A:304 |
4 |
1 |
620 |
f |
[MG]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
30.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.015 |
14 |
24 |
|
[ATP]A:304 |
5 |
1 |
620 |
f |
[MG]A:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.009 |
15 |
25 |
|
[SCM]A:305 |
5 |
1 |
494 |
f |
[MG]A:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.007 |
16 |
26 |
|
[SCM]A:305 |
2 |
1 |
494 |
f |
[NA]A:301 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.007 |
27 |
|
[SCM]B:304 |
3 |
1 |
489 |
f |
[NA]B:301 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
21.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.007 |
17 |
28 |
|
[MG]A:303 |
1 |
1 |
98 |
f |
[MG]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.002 |
|