| ## |
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 |
|
B |
207 |
63 |
18147 |
◊ |
A |
x,y,z |
1_555 |
232 |
62 |
18391 |
2154.1 |
-9.7 |
0.430 |
19 |
15 |
0 |
0.521 |
2 |
|
E |
203 |
60 |
18377 |
◊ |
D |
x,y,z |
1_555 |
221 |
61 |
18245 |
2127.4 |
-12.3 |
0.335 |
21 |
10 |
0 |
0.521 |
3 |
|
F |
220 |
64 |
18329 |
◊ |
A |
x,y,z |
1_555 |
201 |
59 |
18391 |
2090.0 |
-13.0 |
0.289 |
22 |
13 |
0 |
0.521 |
4 |
|
D |
207 |
61 |
18245 |
◊ |
C |
x,y,z |
1_555 |
214 |
61 |
18301 |
2071.8 |
-12.6 |
0.362 |
21 |
12 |
0 |
0.521 |
5 |
|
F |
198 |
58 |
18329 |
◊ |
E |
x,y,z |
1_555 |
216 |
59 |
18377 |
2042.9 |
-8.4 |
0.399 |
20 |
8 |
0 |
0.521 |
6 |
|
C |
192 |
59 |
18301 |
◊ |
B |
x,y,z |
1_555 |
216 |
57 |
18147 |
2031.3 |
-9.7 |
0.428 |
19 |
9 |
0 |
0.521 |
| Average: |
2086.2 |
-10.9 |
0.374 |
20 |
11 |
0 |
0.521 |
| 2 |
7 |
|
B |
41 |
10 |
18147 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
35 |
10 |
18147 |
379.9 |
-6.5 |
0.113 |
1 |
1 |
0 |
0.000 |
| 3 |
8 |
|
[ATP]A:800 |
31 |
1 |
621 |
f |
A |
x,y,z |
1_555 |
55 |
20 |
18391 |
379.0 |
-1.2 |
0.545 |
13 |
0 |
0 |
0.203 |
9 |
|
[ATP]E:800 |
30 |
1 |
625 |
f |
E |
x,y,z |
1_555 |
54 |
19 |
18377 |
375.6 |
-1.8 |
0.510 |
16 |
0 |
0 |
0.203 |
10 |
|
[ATP]F:800 |
30 |
1 |
621 |
f |
F |
x,y,z |
1_555 |
51 |
20 |
18329 |
374.5 |
-2.1 |
0.506 |
16 |
0 |
0 |
0.203 |
11 |
|
[ATP]C:800 |
29 |
1 |
626 |
f |
C |
x,y,z |
1_555 |
53 |
20 |
18301 |
374.4 |
-1.8 |
0.521 |
16 |
0 |
0 |
0.203 |
12 |
|
[ATP]D:800 |
31 |
1 |
624 |
f |
D |
x,y,z |
1_555 |
53 |
20 |
18245 |
374.2 |
-1.9 |
0.520 |
15 |
0 |
0 |
0.203 |
13 |
|
[ATP]B:800 |
31 |
1 |
620 |
f |
B |
x,y,z |
1_555 |
55 |
20 |
18147 |
374.1 |
-1.2 |
0.555 |
15 |
0 |
0 |
0.203 |
| Average: |
375.3 |
-1.7 |
0.526 |
15 |
0 |
0 |
0.203 |
| 4 |
14 |
|
E |
43 |
13 |
18377 |
x |
E |
-x+2,y-1/2,-z |
2_745 |
36 |
9 |
18377 |
378.0 |
-6.1 |
0.132 |
2 |
2 |
0 |
0.000 |
| 5 |
15 |
|
F |
26 |
6 |
18329 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
22 |
5 |
18391 |
231.9 |
-7.2 |
0.018 |
0 |
0 |
0 |
0.000 |
| 6 |
16 |
|
C |
25 |
6 |
18301 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
19 |
5 |
18245 |
218.0 |
-6.2 |
0.031 |
1 |
1 |
0 |
0.000 |
| 7 |
17 |
|
A |
20 |
5 |
18391 |
◊ |
D |
x-1,y,z |
1_455 |
23 |
8 |
18245 |
171.0 |
-1.8 |
0.376 |
3 |
0 |
0 |
0.000 |
| 8 |
18 |
|
[ATP]E:800 |
11 |
1 |
625 |
◊ |
D |
x,y,z |
1_555 |
15 |
8 |
18245 |
115.0 |
0.7 |
0.662 |
5 |
0 |
0 |
0.037 |
19 |
|
[ATP]C:800 |
10 |
1 |
626 |
◊ |
B |
x,y,z |
1_555 |
17 |
8 |
18147 |
114.6 |
1.3 |
0.667 |
4 |
0 |
0 |
0.037 |
20 |
|
[ATP]F:800 |
11 |
1 |
621 |
◊ |
E |
x,y,z |
1_555 |
14 |
8 |
18377 |
113.9 |
0.6 |
0.667 |
4 |
0 |
0 |
0.037 |
21 |
|
[ATP]B:800 |
13 |
1 |
620 |
◊ |
A |
x,y,z |
1_555 |
15 |
8 |
18391 |
113.5 |
0.4 |
0.580 |
5 |
0 |
0 |
0.037 |
22 |
|
[ATP]D:800 |
12 |
1 |
624 |
◊ |
C |
x,y,z |
1_555 |
15 |
9 |
18301 |
112.6 |
0.4 |
0.660 |
5 |
0 |
0 |
0.037 |
23 |
|
[ATP]A:800 |
13 |
1 |
621 |
◊ |
F |
x,y,z |
1_555 |
15 |
8 |
18329 |
107.8 |
-0.5 |
0.553 |
4 |
0 |
0 |
0.037 |
| Average: |
112.9 |
0.5 |
0.631 |
5 |
0 |
0 |
0.037 |
| 9 |
24 |
|
[MG]E:750 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
12 |
5 |
18377 |
38.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.104 |
25 |
|
[MG]A:750 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
18391 |
38.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.104 |
26 |
|
[MG]F:750 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
14 |
5 |
18329 |
37.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.104 |
27 |
|
[MG]D:750 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
18245 |
36.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.104 |
28 |
|
[MG]B:750 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
18147 |
36.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.104 |
29 |
|
[MG]C:750 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
18301 |
36.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.104 |
| Average: |
37.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.104 |
| 10 |
30 |
|
[ATP]D:800 |
4 |
1 |
624 |
f |
[MG]D:750 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.095 |
31 |
|
[ATP]A:800 |
4 |
1 |
621 |
f |
[MG]A:750 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.095 |
32 |
|
[ATP]F:800 |
6 |
1 |
621 |
f |
[MG]F:750 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.095 |
33 |
|
[ATP]C:800 |
4 |
1 |
626 |
f |
[MG]C:750 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.095 |
34 |
|
[ATP]B:800 |
5 |
1 |
620 |
f |
[MG]B:750 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.095 |
35 |
|
[ATP]E:800 |
6 |
1 |
625 |
f |
[MG]E:750 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.095 |
| Average: |
30.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.095 |
| 11 |
36 |
|
C |
3 |
2 |
18301 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
18391 |
21.3 |
0.3 |
0.594 |
0 |
0 |
0 |
0.000 |
37 |
|
F |
2 |
1 |
18329 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
18245 |
11.9 |
-0.2 |
0.440 |
0 |
0 |
0 |
0.000 |
| Average: |
16.6 |
0.0 |
0.517 |
0 |
0 |
0 |
0.000 |
| 12 |
38 |
|
[MG]B:750 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
3 |
18391 |
17.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.034 |
39 |
|
[MG]C:750 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
18147 |
16.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.034 |
40 |
|
[MG]F:750 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
4 |
3 |
18377 |
16.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.034 |
41 |
|
[MG]A:750 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
4 |
3 |
18329 |
16.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.034 |
42 |
|
[MG]D:750 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
18301 |
15.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.034 |
43 |
|
[MG]E:750 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
18245 |
15.4 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.034 |
| Average: |
16.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.034 |
| 13 |
44 |
|
E |
2 |
1 |
18377 |
f |
[ZN]E:700 |
-x+2,y-1/2,-z |
2_745 |
1 |
1 |
98 |
2.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.007 |
45 |
|
B |
1 |
1 |
18147 |
f |
[ZN]B:700 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
98 |
1.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.007 |
| Average: |
2.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.007 |
|