| ## |
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 |
258 |
74 |
21072 |
◊ |
A |
x,y,z |
1_555 |
257 |
67 |
21372 |
2437.6 |
-23.1 |
0.104 |
24 |
10 |
0 |
0.495 |
2 |
|
F |
248 |
67 |
20926 |
◊ |
C |
x,y,z |
1_555 |
247 |
64 |
21178 |
2326.6 |
-16.8 |
0.252 |
25 |
8 |
0 |
0.495 |
| Average: |
2382.1 |
-19.9 |
0.178 |
25 |
9 |
0 |
0.495 |
| 2 |
3 |
|
F |
240 |
61 |
20926 |
◊ |
B |
x,y,z |
1_555 |
229 |
62 |
21700 |
2153.0 |
-17.6 |
0.221 |
33 |
10 |
0 |
0.446 |
4 |
|
D |
220 |
58 |
21072 |
◊ |
C |
x,y,z |
1_555 |
225 |
61 |
21178 |
2025.7 |
-14.0 |
0.305 |
24 |
6 |
0 |
0.446 |
| Average: |
2089.3 |
-15.8 |
0.263 |
29 |
8 |
0 |
0.446 |
| 3 |
5 |
|
E |
199 |
58 |
21302 |
◊ |
B |
x,y,z |
1_555 |
212 |
56 |
21700 |
1963.5 |
-15.0 |
0.169 |
23 |
5 |
0 |
0.579 |
| 4 |
6 |
|
E |
186 |
49 |
21302 |
◊ |
A |
x,y,z |
1_555 |
202 |
55 |
21372 |
1825.5 |
-13.7 |
0.225 |
24 |
7 |
0 |
0.611 |
| 5 |
7 |
|
I |
114 |
27 |
4101 |
◊ |
D |
x,y,z |
1_555 |
127 |
32 |
21072 |
1104.2 |
-11.0 |
0.313 |
13 |
3 |
0 |
0.457 |
| 6 |
8 |
|
H |
65 |
11 |
2322 |
◊ |
E |
x,y,z |
1_555 |
78 |
23 |
21302 |
684.7 |
-7.4 |
0.307 |
2 |
0 |
0 |
0.007 |
| 7 |
9 |
|
G |
56 |
21 |
13323 |
◊ |
A |
x,y,z |
1_555 |
64 |
14 |
21372 |
583.9 |
-6.0 |
0.277 |
2 |
1 |
0 |
0.117 |
| 8 |
10 |
|
G |
57 |
19 |
13323 |
◊ |
E |
x,y,z |
1_555 |
55 |
17 |
21302 |
572.5 |
-8.6 |
0.155 |
5 |
2 |
0 |
0.187 |
| 9 |
11 |
|
G |
53 |
17 |
13323 |
◊ |
D |
x,y,z |
1_555 |
60 |
18 |
21072 |
535.9 |
-8.3 |
0.159 |
3 |
5 |
0 |
0.100 |
| 10 |
12 |
|
B |
56 |
16 |
21700 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
4_644 |
65 |
16 |
21178 |
532.1 |
-4.0 |
0.381 |
4 |
1 |
0 |
0.000 |
| 11 |
13 |
|
G |
49 |
21 |
13323 |
◊ |
F |
x,y,z |
1_555 |
39 |
12 |
20926 |
443.5 |
-6.1 |
0.255 |
3 |
3 |
0 |
0.045 |
| 12 |
14 |
|
A |
40 |
11 |
21372 |
◊ |
B |
x-1/2,-y-1/2,-z |
3_445 |
33 |
12 |
21700 |
370.0 |
-1.4 |
0.502 |
5 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[ADP]D:600 |
27 |
1 |
554 |
f |
D |
x,y,z |
1_555 |
51 |
18 |
21072 |
362.5 |
-5.9 |
0.480 |
10 |
0 |
0 |
0.274 |
16 |
|
[ADP]F:600 |
26 |
1 |
554 |
f |
F |
x,y,z |
1_555 |
54 |
17 |
20926 |
353.9 |
-5.4 |
0.478 |
10 |
0 |
0 |
0.274 |
| Average: |
358.2 |
-5.7 |
0.479 |
10 |
0 |
0 |
0.274 |
| 14 |
17 |
|
[ATP]C:600 |
31 |
1 |
619 |
f |
C |
x,y,z |
1_555 |
51 |
17 |
21178 |
360.3 |
-1.9 |
0.552 |
15 |
0 |
0 |
0.185 |
18 |
|
[ATP]A:600 |
29 |
1 |
624 |
f |
A |
x,y,z |
1_555 |
49 |
15 |
21372 |
357.7 |
-1.6 |
0.561 |
10 |
0 |
0 |
0.185 |
19 |
|
[ATP]B:600 |
30 |
1 |
620 |
f |
B |
x,y,z |
1_555 |
51 |
18 |
21700 |
344.4 |
-1.2 |
0.598 |
16 |
0 |
0 |
0.185 |
| Average: |
354.1 |
-1.6 |
0.570 |
14 |
0 |
0 |
0.185 |
| 15 |
20 |
|
A |
30 |
13 |
21372 |
◊ |
B |
x-1,y,z |
1_455 |
31 |
12 |
21700 |
284.0 |
-1.5 |
0.484 |
0 |
0 |
0 |
0.000 |
| 16 |
21 |
|
I |
30 |
9 |
4101 |
◊ |
G |
x,y,z |
1_555 |
29 |
7 |
13323 |
273.7 |
-3.2 |
0.393 |
1 |
0 |
0 |
0.036 |
| 17 |
22 |
|
I |
34 |
8 |
4101 |
◊ |
C |
x,y,z |
1_555 |
30 |
10 |
21178 |
264.1 |
-0.1 |
0.509 |
4 |
1 |
0 |
0.023 |
| 18 |
23 |
|
G |
22 |
8 |
13323 |
◊ |
B |
x,y,z |
1_555 |
26 |
9 |
21700 |
228.7 |
-2.6 |
0.361 |
1 |
2 |
0 |
0.031 |
| 19 |
24 |
|
G |
26 |
8 |
13323 |
◊ |
C |
x,y,z |
1_555 |
27 |
11 |
21178 |
219.5 |
-1.9 |
0.457 |
1 |
0 |
0 |
0.023 |
| 20 |
25 |
|
I |
18 |
4 |
4101 |
◊ |
F |
x,y,z |
1_555 |
16 |
5 |
20926 |
173.7 |
-3.9 |
0.157 |
0 |
0 |
0 |
0.013 |
| 21 |
26 |
|
[ATP]C:600 |
15 |
1 |
619 |
◊ |
F |
x,y,z |
1_555 |
23 |
9 |
20926 |
159.6 |
0.6 |
0.697 |
2 |
0 |
0 |
0.004 |
| 22 |
27 |
|
A |
19 |
7 |
21372 |
◊ |
E |
x-1/2,-y-1/2,-z |
3_445 |
16 |
8 |
21302 |
124.3 |
-0.8 |
0.462 |
0 |
0 |
0 |
0.000 |
| 23 |
28 |
|
[ATP]B:600 |
14 |
1 |
620 |
◊ |
E |
x,y,z |
1_555 |
14 |
6 |
21302 |
118.5 |
0.4 |
0.619 |
2 |
0 |
0 |
0.012 |
| 24 |
29 |
|
[ATP]A:600 |
12 |
1 |
624 |
◊ |
D |
x,y,z |
1_555 |
18 |
9 |
21072 |
107.4 |
0.8 |
0.673 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
E |
15 |
5 |
21302 |
◊ |
B |
x-1/2,-y-1/2,-z |
3_445 |
9 |
4 |
21700 |
86.3 |
-0.8 |
0.357 |
0 |
0 |
0 |
0.000 |
| 26 |
31 |
|
[ADP]D:600 |
10 |
1 |
554 |
◊ |
C |
x,y,z |
1_555 |
13 |
3 |
21178 |
84.7 |
-1.9 |
0.603 |
2 |
0 |
0 |
0.041 |
| 27 |
32 |
|
[ADP]F:600 |
8 |
1 |
554 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
21700 |
75.5 |
-2.4 |
0.493 |
1 |
0 |
0 |
0.037 |
| 28 |
33 |
|
I |
4 |
2 |
4101 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
21372 |
50.9 |
-0.3 |
0.494 |
1 |
0 |
0 |
0.005 |
| 29 |
34 |
|
[MG]F:601 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
13 |
6 |
20926 |
48.9 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.161 |
35 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
21072 |
45.9 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.161 |
| Average: |
47.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.161 |
| 30 |
36 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
21178 |
43.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.110 |
37 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
21372 |
41.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.110 |
38 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
21700 |
40.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.110 |
| Average: |
41.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.110 |
| 31 |
39 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
[ATP]A:600 |
x,y,z |
1_555 |
4 |
1 |
624 |
39.3 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.135 |
40 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
[ATP]B:600 |
x,y,z |
1_555 |
5 |
1 |
620 |
39.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.135 |
41 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
[ATP]C:600 |
x,y,z |
1_555 |
4 |
1 |
619 |
37.5 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.135 |
| Average: |
38.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.135 |
| 32 |
42 |
|
F |
3 |
2 |
20926 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
21072 |
34.5 |
-1.0 |
0.206 |
0 |
0 |
0 |
0.004 |
| 33 |
43 |
|
[ADP]F:600 |
6 |
1 |
554 |
f |
[MG]F:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.108 |
44 |
|
[ADP]D:600 |
4 |
1 |
554 |
f |
[MG]D:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.108 |
| Average: |
29.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.108 |
| 34 |
45 |
|
D |
2 |
2 |
21072 |
◊ |
F |
x-1,y,z |
1_455 |
1 |
1 |
20926 |
9.7 |
0.4 |
0.824 |
0 |
0 |
0 |
0.000 |
| 35 |
46 |
|
[MG]D:601 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
21178 |
6.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
|