| ## |
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 |
|
F |
98 |
26 |
4814 |
◊ |
E |
x,y,z |
1_555 |
79 |
22 |
4618 |
823.7 |
-11.1 |
0.169 |
13 |
0 |
0 |
0.811 |
2 |
|
F |
76 |
21 |
4814 |
◊ |
A |
x,y,z |
1_555 |
91 |
28 |
4566 |
811.8 |
-12.8 |
0.129 |
10 |
0 |
0 |
0.811 |
3 |
|
D |
96 |
28 |
4585 |
◊ |
C |
x,y,z |
1_555 |
74 |
23 |
4733 |
793.9 |
-13.8 |
0.104 |
9 |
0 |
0 |
0.811 |
4 |
|
B |
81 |
24 |
4539 |
◊ |
A |
x,y,z |
1_555 |
69 |
22 |
4566 |
743.3 |
-12.6 |
0.111 |
10 |
0 |
0 |
0.811 |
5 |
|
E |
75 |
21 |
4618 |
◊ |
D |
x,y,z |
1_555 |
66 |
20 |
4585 |
726.0 |
-11.7 |
0.138 |
11 |
0 |
0 |
0.811 |
6 |
|
C |
75 |
22 |
4733 |
◊ |
B |
x,y,z |
1_555 |
65 |
21 |
4539 |
708.8 |
-11.2 |
0.149 |
12 |
0 |
0 |
0.811 |
| Average: |
767.9 |
-12.2 |
0.133 |
11 |
0 |
0 |
0.811 |
| 2 |
7 |
|
E |
38 |
10 |
4618 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
37 |
11 |
4585 |
387.4 |
4.3 |
0.952 |
10 |
4 |
0 |
0.000 |
| 3 |
8 |
|
A |
31 |
6 |
4566 |
◊ |
C |
x-1,y,z |
1_455 |
28 |
6 |
4733 |
233.9 |
0.0 |
0.726 |
1 |
3 |
0 |
0.000 |
9 |
|
F |
29 |
8 |
4814 |
◊ |
D |
x-1,y,z |
1_455 |
27 |
6 |
4585 |
225.5 |
-1.4 |
0.552 |
0 |
0 |
0 |
0.000 |
| Average: |
229.7 |
-0.7 |
0.639 |
1 |
2 |
0 |
0.000 |
| 4 |
10 |
|
F |
20 |
8 |
4814 |
◊ |
C |
x-1,y,z |
1_455 |
24 |
8 |
4733 |
216.5 |
2.1 |
0.882 |
2 |
0 |
0 |
0.000 |
| 5 |
11 |
|
F |
22 |
5 |
4814 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
25 |
6 |
4618 |
195.7 |
-1.5 |
0.554 |
1 |
0 |
0 |
0.000 |
| 6 |
12 |
|
[ATP]B:101 |
17 |
1 |
604 |
f |
B |
x,y,z |
1_555 |
20 |
6 |
4539 |
177.8 |
0.0 |
0.634 |
3 |
0 |
0 |
0.035 |
| 7 |
13 |
|
[ATP]C:101 |
18 |
1 |
577 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
4733 |
160.8 |
-0.1 |
0.540 |
2 |
0 |
0 |
0.100 |
| 8 |
14 |
|
[ATP]A:101 |
16 |
1 |
576 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
4566 |
159.6 |
1.1 |
0.655 |
3 |
0 |
0 |
0.003 |
15 |
|
[ATP]D:101 |
14 |
1 |
564 |
f |
D |
x,y,z |
1_555 |
20 |
6 |
4585 |
150.4 |
1.2 |
0.707 |
3 |
0 |
0 |
0.003 |
| Average: |
155.0 |
1.2 |
0.681 |
3 |
0 |
0 |
0.003 |
| 9 |
16 |
|
[ATP]F:101 |
20 |
1 |
580 |
◊ |
F |
x,y,z |
1_555 |
21 |
7 |
4814 |
151.1 |
-0.4 |
0.526 |
2 |
0 |
0 |
0.000 |
| 10 |
17 |
|
[ATP]F:101 |
15 |
1 |
580 |
◊ |
E |
x,y,z |
1_555 |
12 |
6 |
4618 |
125.7 |
0.9 |
0.475 |
1 |
0 |
0 |
0.000 |
| 11 |
18 |
|
B |
16 |
6 |
4539 |
f |
[ATP]F:101 |
-x+1,y-1/2,-z-1/2 |
3_644 |
16 |
1 |
580 |
125.7 |
-1.6 |
0.471 |
2 |
0 |
0 |
0.065 |
| 12 |
19 |
|
[ATP]D:101 |
14 |
1 |
564 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
4733 |
120.5 |
1.3 |
0.481 |
1 |
0 |
0 |
0.000 |
| 13 |
20 |
|
B |
13 |
6 |
4539 |
◊ |
E |
-x+1,y-1/2,-z-1/2 |
3_644 |
12 |
5 |
4618 |
120.4 |
-1.6 |
0.428 |
1 |
0 |
0 |
0.000 |
| 14 |
21 |
|
[ATP]C:101 |
14 |
1 |
577 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
4539 |
115.1 |
1.4 |
0.543 |
1 |
0 |
0 |
0.000 |
| 15 |
22 |
|
[ATP]A:101 |
14 |
1 |
576 |
◊ |
F |
x,y,z |
1_555 |
11 |
5 |
4814 |
112.2 |
1.6 |
0.537 |
1 |
0 |
0 |
0.000 |
| 16 |
23 |
|
[ATP]B:101 |
14 |
1 |
604 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
4566 |
108.7 |
1.6 |
0.564 |
1 |
0 |
0 |
0.000 |
| 17 |
24 |
|
B |
8 |
3 |
4539 |
◊ |
D |
-x+1,y-1/2,-z-1/2 |
3_644 |
11 |
3 |
4585 |
106.1 |
-1.8 |
0.291 |
0 |
0 |
0 |
0.000 |
| 18 |
25 |
|
[PEG]D:102 |
7 |
1 |
260 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
4585 |
102.4 |
2.3 |
0.278 |
3 |
0 |
0 |
0.000 |
| 19 |
26 |
|
A |
8 |
3 |
4566 |
◊ |
[ATP]D:101 |
-x+1,y-1/2,-z-1/2 |
3_644 |
13 |
1 |
564 |
95.4 |
-0.8 |
0.570 |
2 |
0 |
0 |
0.000 |
| 20 |
27 |
|
B |
10 |
3 |
4539 |
◊ |
F |
-x+1,y-1/2,-z-1/2 |
3_644 |
9 |
3 |
4814 |
89.0 |
0.0 |
0.634 |
1 |
0 |
0 |
0.000 |
| 21 |
28 |
|
B |
6 |
2 |
4539 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
7 |
3 |
4733 |
48.6 |
0.3 |
0.708 |
0 |
0 |
0 |
0.000 |
| 22 |
29 |
|
F |
4 |
1 |
4814 |
x |
D |
x-1/2,-y+1/2,-z |
4_455 |
6 |
2 |
4585 |
47.6 |
0.7 |
0.654 |
1 |
0 |
0 |
0.000 |
30 |
|
E |
4 |
2 |
4618 |
x |
E |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
4618 |
27.5 |
-0.4 |
0.497 |
0 |
0 |
0 |
0.000 |
| Average: |
37.6 |
0.1 |
0.576 |
1 |
0 |
0 |
0.000 |
| 23 |
31 |
|
B |
3 |
1 |
4539 |
x |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
7 |
2 |
4539 |
45.6 |
1.1 |
0.783 |
1 |
0 |
0 |
0.000 |
| 24 |
32 |
|
[NA]A:102 |
1 |
1 |
125 |
f |
[ATP]A:101 |
x,y,z |
1_555 |
6 |
1 |
576 |
43.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.082 |
33 |
|
[NA]D:103 |
1 |
1 |
125 |
f |
[ATP]D:101 |
x,y,z |
1_555 |
4 |
1 |
564 |
35.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.082 |
| Average: |
39.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.082 |
| 25 |
34 |
|
[NA]A:102 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
4566 |
41.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.071 |
35 |
|
[NA]D:103 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
4585 |
37.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.071 |
| Average: |
39.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.071 |
| 26 |
36 |
|
B |
2 |
1 |
4539 |
◊ |
[ATP]A:101 |
-x+1,y-1/2,-z-1/2 |
3_644 |
4 |
1 |
576 |
31.2 |
1.0 |
0.722 |
1 |
0 |
0 |
0.000 |
| 27 |
37 |
|
[NA]D:103 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
4733 |
27.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.036 |
38 |
|
[NA]A:102 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
4814 |
18.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.036 |
| Average: |
22.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.036 |
| 28 |
39 |
|
B |
2 |
1 |
4539 |
◊ |
[NA]D:103 |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
125 |
18.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 29 |
40 |
|
B |
2 |
1 |
4539 |
◊ |
[NA]A:102 |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
125 |
18.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 30 |
41 |
|
A |
4 |
3 |
4566 |
◊ |
D |
-x+1,y-1/2,-z-1/2 |
3_644 |
5 |
3 |
4585 |
12.5 |
0.2 |
0.721 |
0 |
0 |
0 |
0.000 |
| 31 |
42 |
|
B |
2 |
1 |
4539 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
4566 |
8.6 |
0.1 |
0.475 |
0 |
0 |
0 |
0.000 |
| 32 |
43 |
|
[ATP]B:101 |
3 |
1 |
604 |
◊ |
E |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
4618 |
7.9 |
0.4 |
0.680 |
0 |
0 |
0 |
0.000 |
| 33 |
44 |
|
A |
2 |
1 |
4566 |
◊ |
[NA]D:103 |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
125 |
7.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 34 |
45 |
|
B |
1 |
1 |
4539 |
◊ |
[ATP]C:101 |
-x+1,y-1/2,-z-1/2 |
3_644 |
2 |
1 |
577 |
5.9 |
-0.2 |
0.390 |
0 |
0 |
0 |
0.000 |
|