| ## |
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 |
374 |
107 |
23226 |
◊ |
A |
x,y,z |
1_555 |
357 |
88 |
24838 |
3369.2 |
-12.1 |
0.285 |
44 |
22 |
0 |
0.534 |
2 |
|
F |
363 |
86 |
24681 |
◊ |
A |
x,y,z |
1_555 |
368 |
100 |
24838 |
3329.1 |
-11.9 |
0.435 |
41 |
26 |
0 |
0.534 |
3 |
|
D |
362 |
99 |
22964 |
◊ |
C |
x,y,z |
1_555 |
346 |
82 |
22972 |
3293.2 |
-11.7 |
0.351 |
42 |
24 |
0 |
0.534 |
4 |
|
E |
365 |
96 |
23691 |
◊ |
D |
x,y,z |
1_555 |
351 |
88 |
22964 |
3277.0 |
-16.1 |
0.202 |
42 |
20 |
0 |
0.534 |
5 |
|
C |
355 |
100 |
22972 |
◊ |
B |
x,y,z |
1_555 |
356 |
86 |
23226 |
3272.8 |
-15.9 |
0.168 |
45 |
21 |
0 |
0.534 |
6 |
|
F |
343 |
98 |
24681 |
◊ |
E |
x,y,z |
1_555 |
339 |
85 |
23691 |
3137.0 |
-19.3 |
0.137 |
42 |
23 |
0 |
0.534 |
| Average: |
3279.7 |
-14.5 |
0.263 |
43 |
23 |
0 |
0.534 |
| 2 |
7 |
|
C |
81 |
24 |
22972 |
◊ |
F |
-x+3/2,-y+1,z-1/2 |
2_664 |
90 |
26 |
24681 |
774.2 |
0.9 |
0.550 |
6 |
6 |
0 |
0.000 |
| 3 |
8 |
|
D |
66 |
16 |
22964 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
59 |
15 |
24838 |
541.6 |
-2.5 |
0.357 |
6 |
3 |
0 |
0.000 |
| 4 |
9 |
|
D |
55 |
13 |
22964 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
68 |
17 |
24681 |
523.1 |
0.6 |
0.701 |
9 |
5 |
0 |
0.000 |
| 5 |
10 |
|
B |
48 |
12 |
23226 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
47 |
15 |
24838 |
438.7 |
1.4 |
0.701 |
5 |
4 |
0 |
0.000 |
| 6 |
11 |
|
[ATP]B:901 |
28 |
1 |
637 |
f |
B |
x,y,z |
1_555 |
47 |
16 |
23226 |
312.7 |
-4.7 |
0.453 |
9 |
0 |
0 |
0.139 |
12 |
|
[ATP]C:901 |
28 |
1 |
638 |
f |
C |
x,y,z |
1_555 |
49 |
17 |
22972 |
310.2 |
-4.6 |
0.457 |
13 |
0 |
0 |
0.139 |
13 |
|
[ATP]E:901 |
29 |
1 |
638 |
f |
E |
x,y,z |
1_555 |
51 |
18 |
23691 |
310.0 |
-4.6 |
0.451 |
14 |
0 |
0 |
0.139 |
14 |
|
[ATP]F:901 |
29 |
1 |
633 |
f |
F |
x,y,z |
1_555 |
46 |
16 |
24681 |
306.4 |
-4.5 |
0.480 |
12 |
0 |
0 |
0.139 |
15 |
|
[ATP]D:901 |
29 |
1 |
629 |
f |
D |
x,y,z |
1_555 |
48 |
16 |
22964 |
305.8 |
-4.0 |
0.470 |
12 |
0 |
0 |
0.139 |
16 |
|
[ATP]A:901 |
29 |
1 |
632 |
f |
A |
x,y,z |
1_555 |
43 |
16 |
24838 |
302.8 |
-4.4 |
0.470 |
9 |
0 |
0 |
0.139 |
| Average: |
308.0 |
-4.5 |
0.464 |
12 |
0 |
0 |
0.139 |
| 7 |
17 |
|
[ATP]B:903 |
29 |
1 |
648 |
f |
B |
x,y,z |
1_555 |
45 |
17 |
23226 |
311.6 |
-3.1 |
0.558 |
14 |
0 |
0 |
0.132 |
18 |
|
[ATP]A:903 |
29 |
1 |
644 |
f |
A |
x,y,z |
1_555 |
41 |
15 |
24838 |
309.8 |
-3.5 |
0.513 |
12 |
0 |
0 |
0.132 |
19 |
|
[ATP]D:903 |
28 |
1 |
643 |
f |
D |
x,y,z |
1_555 |
42 |
14 |
22964 |
308.4 |
-3.5 |
0.486 |
13 |
0 |
0 |
0.132 |
20 |
|
[ATP]F:903 |
28 |
1 |
635 |
f |
F |
x,y,z |
1_555 |
45 |
14 |
24681 |
307.3 |
-3.3 |
0.514 |
12 |
0 |
0 |
0.132 |
21 |
|
[ATP]E:903 |
28 |
1 |
640 |
f |
E |
x,y,z |
1_555 |
42 |
15 |
23691 |
305.1 |
-3.5 |
0.507 |
15 |
0 |
0 |
0.132 |
22 |
|
[ATP]C:903 |
28 |
1 |
642 |
f |
C |
x,y,z |
1_555 |
43 |
15 |
22972 |
304.1 |
-3.2 |
0.527 |
12 |
0 |
0 |
0.132 |
| Average: |
307.7 |
-3.4 |
0.518 |
13 |
0 |
0 |
0.132 |
| 8 |
23 |
|
[ATP]C:903 |
22 |
1 |
642 |
◊ |
D |
x,y,z |
1_555 |
33 |
10 |
22964 |
236.0 |
-0.5 |
0.542 |
5 |
0 |
0 |
0.040 |
24 |
|
[ATP]D:903 |
23 |
1 |
643 |
◊ |
E |
x,y,z |
1_555 |
32 |
10 |
23691 |
236.0 |
-0.3 |
0.534 |
5 |
0 |
0 |
0.040 |
25 |
|
[ATP]B:903 |
23 |
1 |
648 |
◊ |
C |
x,y,z |
1_555 |
32 |
10 |
22972 |
231.5 |
-0.5 |
0.598 |
6 |
0 |
0 |
0.040 |
26 |
|
[ATP]A:903 |
22 |
1 |
644 |
◊ |
B |
x,y,z |
1_555 |
30 |
10 |
23226 |
230.6 |
-0.1 |
0.606 |
7 |
0 |
0 |
0.040 |
27 |
|
[ATP]E:903 |
21 |
1 |
640 |
◊ |
F |
x,y,z |
1_555 |
32 |
11 |
24681 |
229.9 |
-0.1 |
0.576 |
5 |
0 |
0 |
0.040 |
28 |
|
[ATP]F:903 |
22 |
1 |
635 |
◊ |
A |
x,y,z |
1_555 |
35 |
10 |
24838 |
229.9 |
-0.4 |
0.556 |
5 |
0 |
0 |
0.040 |
| Average: |
232.3 |
-0.3 |
0.568 |
6 |
0 |
0 |
0.040 |
| 9 |
29 |
|
[ATP]E:901 |
22 |
1 |
638 |
◊ |
F |
x,y,z |
1_555 |
31 |
10 |
24681 |
212.5 |
2.2 |
0.806 |
6 |
0 |
0 |
0.015 |
30 |
|
[ATP]A:901 |
22 |
1 |
632 |
◊ |
B |
x,y,z |
1_555 |
30 |
10 |
23226 |
212.1 |
2.1 |
0.811 |
7 |
0 |
0 |
0.015 |
31 |
|
[ATP]C:901 |
21 |
1 |
638 |
◊ |
D |
x,y,z |
1_555 |
29 |
10 |
22964 |
211.4 |
2.0 |
0.802 |
7 |
0 |
0 |
0.015 |
32 |
|
[ATP]D:901 |
22 |
1 |
629 |
◊ |
E |
x,y,z |
1_555 |
29 |
10 |
23691 |
210.2 |
2.1 |
0.807 |
9 |
0 |
0 |
0.015 |
33 |
|
[ATP]F:901 |
22 |
1 |
633 |
◊ |
A |
x,y,z |
1_555 |
31 |
10 |
24838 |
209.6 |
2.1 |
0.828 |
8 |
0 |
0 |
0.015 |
34 |
|
[ATP]B:901 |
22 |
1 |
637 |
◊ |
C |
x,y,z |
1_555 |
32 |
11 |
22972 |
209.5 |
2.2 |
0.820 |
6 |
0 |
0 |
0.015 |
| Average: |
210.9 |
2.1 |
0.813 |
7 |
0 |
0 |
0.015 |
| 10 |
35 |
|
C |
19 |
6 |
22972 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
18 |
7 |
24838 |
149.0 |
1.8 |
0.773 |
0 |
0 |
0 |
0.000 |
| 11 |
36 |
|
D |
16 |
5 |
22964 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
14 |
5 |
23691 |
102.6 |
1.8 |
0.824 |
2 |
0 |
0 |
0.000 |
| 12 |
37 |
|
C |
11 |
6 |
22972 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
16 |
5 |
24838 |
90.6 |
0.0 |
0.600 |
0 |
0 |
0 |
0.000 |
| 13 |
38 |
|
C |
8 |
2 |
22972 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
8 |
2 |
23226 |
72.8 |
0.7 |
0.717 |
0 |
0 |
0 |
0.000 |
| 14 |
39 |
|
E |
5 |
2 |
23691 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
7 |
3 |
23226 |
69.6 |
-1.3 |
0.179 |
0 |
0 |
0 |
0.000 |
| 15 |
40 |
|
E |
8 |
2 |
23691 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
7 |
2 |
24838 |
58.8 |
1.2 |
0.767 |
1 |
0 |
0 |
0.000 |
| 16 |
41 |
|
B |
6 |
2 |
23226 |
◊ |
F |
-x+3/2,-y+1,z-1/2 |
2_664 |
3 |
1 |
24681 |
57.1 |
-0.7 |
0.153 |
0 |
0 |
0 |
0.000 |
| 17 |
42 |
|
E |
3 |
1 |
23691 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
8 |
4 |
24681 |
48.2 |
-0.6 |
0.201 |
1 |
0 |
0 |
0.000 |
| 18 |
43 |
|
D |
5 |
2 |
22964 |
◊ |
F |
-x+3/2,-y+1,z-1/2 |
2_664 |
3 |
1 |
24681 |
46.8 |
0.3 |
0.600 |
1 |
0 |
0 |
0.000 |
| 19 |
44 |
|
[MG]B:802 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
23226 |
43.6 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.024 |
| 20 |
45 |
|
E |
7 |
2 |
23691 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
3 |
2 |
23226 |
41.6 |
-0.0 |
0.616 |
0 |
0 |
0 |
0.000 |
| 21 |
46 |
|
[MG]E:805 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
23691 |
38.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.056 |
47 |
|
[MG]F:806 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
24681 |
38.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.056 |
48 |
|
[MG]D:804 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
22964 |
36.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.056 |
49 |
|
[MG]A:801 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
24838 |
36.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.056 |
50 |
|
[MG]C:803 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
22972 |
34.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.056 |
| Average: |
36.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.056 |
| 22 |
51 |
|
[ATP]C:901 |
9 |
1 |
638 |
f |
[MG]C:803 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.046 |
52 |
|
[ATP]E:901 |
8 |
1 |
638 |
f |
[MG]E:805 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.046 |
53 |
|
[ATP]D:901 |
9 |
1 |
629 |
f |
[MG]D:804 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.046 |
54 |
|
[ATP]F:901 |
7 |
1 |
633 |
f |
[MG]F:806 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.046 |
55 |
|
[ATP]A:901 |
8 |
1 |
632 |
f |
[MG]A:801 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.046 |
| Average: |
29.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.046 |
| 23 |
56 |
|
[ATP]B:901 |
4 |
1 |
637 |
f |
[MG]B:802 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.011 |
| 24 |
57 |
|
[MG]A:801 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
23226 |
19.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.013 |
58 |
|
[MG]F:806 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
24838 |
16.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.013 |
59 |
|
[MG]C:803 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
22964 |
15.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.013 |
60 |
|
[MG]E:805 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
24681 |
13.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.013 |
61 |
|
[MG]D:804 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
23691 |
12.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.013 |
| Average: |
15.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.013 |
| 25 |
62 |
|
B |
5 |
1 |
23226 |
◊ |
F |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
24681 |
19.4 |
0.4 |
0.787 |
0 |
0 |
0 |
0.000 |
| 26 |
63 |
|
D |
3 |
1 |
22964 |
◊ |
F |
x-1/2,-y+3/2,-z |
4_465 |
3 |
1 |
24681 |
17.4 |
-0.2 |
0.467 |
0 |
0 |
0 |
0.000 |
| 27 |
64 |
|
C |
4 |
1 |
22972 |
◊ |
E |
-x+3/2,-y+1,z-1/2 |
2_664 |
3 |
3 |
23691 |
10.8 |
-0.0 |
0.598 |
0 |
0 |
0 |
0.000 |
| 28 |
65 |
|
[MG]B:802 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
22972 |
5.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.001 |
| 29 |
66 |
|
E |
1 |
1 |
23691 |
◊ |
C |
-x+3/2,-y+1,z-1/2 |
2_664 |
2 |
2 |
22972 |
2.1 |
-0.1 |
0.492 |
0 |
0 |
0 |
0.000 |
|