| ## |
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 |
81 |
23 |
20235 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
81 |
22 |
20683 |
749.6 |
-6.1 |
0.206 |
6 |
8 |
0 |
0.086 |
2 |
|
C |
82 |
23 |
21080 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
77 |
23 |
20743 |
720.3 |
-6.1 |
0.176 |
6 |
8 |
0 |
0.086 |
| Average: |
735.0 |
-6.1 |
0.191 |
6 |
8 |
0 |
0.086 |
| 2 |
3 |
|
D |
80 |
22 |
20235 |
◊ |
C |
x,y,z |
1_555 |
87 |
25 |
21080 |
707.9 |
-4.5 |
0.306 |
4 |
0 |
0 |
0.000 |
| 3 |
4 |
|
C |
72 |
24 |
21080 |
◊ |
A |
x,y,z |
1_555 |
79 |
21 |
20683 |
678.6 |
-7.8 |
0.103 |
1 |
0 |
0 |
0.000 |
| 4 |
5 |
|
C |
61 |
19 |
21080 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
59 |
21 |
20235 |
578.0 |
-7.4 |
0.090 |
3 |
0 |
0 |
0.000 |
| 5 |
6 |
|
C |
65 |
17 |
21080 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
63 |
13 |
20683 |
544.5 |
-5.5 |
0.189 |
3 |
2 |
0 |
0.000 |
| 6 |
7 |
|
D |
47 |
16 |
20235 |
x |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
51 |
13 |
20235 |
442.4 |
2.2 |
0.772 |
2 |
0 |
0 |
0.000 |
| 7 |
8 |
|
A |
49 |
13 |
20683 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
53 |
14 |
20235 |
416.1 |
1.9 |
0.555 |
4 |
3 |
0 |
0.000 |
| 8 |
9 |
|
[ATP]B:1001 |
30 |
1 |
630 |
f |
B |
x,y,z |
1_555 |
62 |
22 |
20743 |
409.4 |
-1.2 |
0.567 |
19 |
0 |
0 |
0.071 |
10 |
|
[ATP]C:1002 |
29 |
1 |
630 |
f |
C |
x,y,z |
1_555 |
59 |
22 |
21080 |
397.1 |
-0.0 |
0.662 |
22 |
0 |
0 |
0.071 |
11 |
|
[ATP]D:1004 |
30 |
1 |
615 |
f |
D |
x,y,z |
1_555 |
53 |
19 |
20235 |
370.1 |
-1.1 |
0.587 |
16 |
0 |
0 |
0.071 |
| Average: |
392.2 |
-0.8 |
0.605 |
19 |
0 |
0 |
0.071 |
| 9 |
12 |
|
[ATP]A:1003 |
30 |
1 |
636 |
f |
A |
x,y,z |
1_555 |
57 |
22 |
20683 |
406.8 |
-1.3 |
0.580 |
18 |
0 |
0 |
0.080 |
| 10 |
13 |
|
B |
44 |
13 |
20743 |
◊ |
A |
x,y,z |
1_555 |
44 |
14 |
20683 |
358.4 |
1.0 |
0.654 |
4 |
1 |
0 |
0.000 |
| 11 |
14 |
|
D |
42 |
11 |
20235 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
32 |
8 |
20743 |
343.9 |
3.6 |
0.868 |
2 |
0 |
0 |
0.000 |
| 12 |
15 |
|
B |
41 |
13 |
20743 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
36 |
11 |
20683 |
328.9 |
3.1 |
0.760 |
4 |
3 |
0 |
0.000 |
| 13 |
16 |
|
B |
31 |
9 |
20743 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
38 |
10 |
20235 |
296.4 |
2.5 |
0.797 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
B |
26 |
8 |
20743 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
26 |
9 |
21080 |
211.4 |
-1.8 |
0.344 |
1 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[PO4]D:3015 |
5 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
22 |
12 |
20235 |
120.9 |
-7.9 |
0.521 |
4 |
0 |
0 |
0.084 |
| 16 |
19 |
|
[PO4]B:3013 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
26 |
11 |
20743 |
119.6 |
-7.7 |
0.690 |
5 |
0 |
0 |
0.021 |
| 17 |
20 |
|
[PO4]A:3009 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
20683 |
119.2 |
-8.1 |
0.612 |
2 |
0 |
0 |
0.078 |
| 18 |
21 |
|
[PO4]C:3010 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
21080 |
118.4 |
-8.4 |
0.542 |
2 |
0 |
0 |
0.012 |
| 19 |
22 |
|
[PO4]D:3011 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
15 |
9 |
20235 |
113.8 |
-8.3 |
0.609 |
2 |
0 |
0 |
0.079 |
| 20 |
23 |
|
[PO4]A:3005 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
20683 |
113.7 |
-6.9 |
0.732 |
3 |
0 |
0 |
0.071 |
| 21 |
24 |
|
[PO4]B:3006 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
20743 |
113.1 |
-6.9 |
0.733 |
4 |
0 |
0 |
0.018 |
| 22 |
25 |
|
[PO4]C:3007 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
19 |
6 |
21080 |
106.3 |
-6.3 |
0.694 |
4 |
0 |
0 |
0.011 |
| 23 |
26 |
|
[PO4]D:3008 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
20235 |
105.6 |
-7.1 |
0.606 |
2 |
0 |
0 |
0.069 |
| 24 |
27 |
|
[PO4]C:3003 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
21080 |
104.5 |
-5.5 |
0.776 |
6 |
0 |
0 |
0.011 |
| 25 |
28 |
|
[PO4]C:3014 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
20 |
11 |
21080 |
102.8 |
-5.7 |
0.769 |
5 |
0 |
0 |
0.010 |
| 26 |
29 |
|
[PO4]D:3004 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
20235 |
102.8 |
-5.5 |
0.772 |
6 |
0 |
0 |
0.070 |
| 27 |
30 |
|
[PO4]A:3001 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
20683 |
101.9 |
-5.5 |
0.762 |
5 |
0 |
0 |
0.067 |
| 28 |
31 |
|
[PO4]B:3002 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
20743 |
100.8 |
-5.5 |
0.768 |
6 |
0 |
0 |
0.017 |
| 29 |
32 |
|
[PO4]C:3017 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
21080 |
99.9 |
-5.7 |
0.691 |
3 |
0 |
0 |
0.009 |
| 30 |
33 |
|
[PO4]C:3016 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
19 |
10 |
21080 |
89.7 |
-5.4 |
0.665 |
4 |
0 |
0 |
0.009 |
| 31 |
34 |
|
[ATP]A:1003 |
4 |
1 |
636 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
21080 |
56.6 |
-1.5 |
0.312 |
0 |
0 |
0 |
0.000 |
| 32 |
35 |
|
D |
7 |
4 |
20235 |
◊ |
[PO4]A:3001 |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
187 |
54.4 |
-1.7 |
0.941 |
2 |
0 |
0 |
0.022 |
| 33 |
36 |
|
[PO4]D:3004 |
4 |
1 |
186 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
8 |
4 |
20683 |
53.5 |
-1.6 |
0.935 |
1 |
0 |
0 |
0.018 |
| 34 |
37 |
|
C |
7 |
4 |
21080 |
◊ |
[PO4]B:3002 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
185 |
52.4 |
-1.5 |
0.940 |
1 |
0 |
0 |
0.001 |
| 35 |
38 |
|
[PO4]C:3003 |
4 |
1 |
187 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
7 |
4 |
20743 |
49.8 |
-1.7 |
0.921 |
1 |
0 |
0 |
0.002 |
| 36 |
39 |
|
[CA]C:2003 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
21080 |
47.3 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.198 |
40 |
|
[CA]D:2004 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
20235 |
47.1 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.198 |
41 |
|
[CA]B:2002 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
20743 |
47.0 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.198 |
42 |
|
[CA]A:2001 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
20683 |
46.7 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.198 |
| Average: |
47.0 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.198 |
| 37 |
43 |
|
[ATP]C:1002 |
5 |
1 |
630 |
f |
[PO4]C:3016 |
x,y,z |
1_555 |
4 |
1 |
185 |
33.2 |
-0.7 |
0.794 |
0 |
0 |
0 |
0.000 |
| 38 |
44 |
|
[PO4]C:3017 |
4 |
1 |
184 |
f |
[PO4]C:3016 |
x,y,z |
1_555 |
4 |
1 |
185 |
32.7 |
-3.0 |
0.973 |
0 |
0 |
0 |
0.004 |
| 39 |
45 |
|
[ATP]D:1004 |
4 |
1 |
615 |
f |
[PO4]D:3015 |
x,y,z |
1_555 |
3 |
1 |
183 |
27.6 |
-0.8 |
0.782 |
0 |
0 |
0 |
0.007 |
| 40 |
46 |
|
[PO4]C:3016 |
4 |
1 |
185 |
f |
[PO4]C:3014 |
x,y,z |
1_555 |
4 |
1 |
185 |
27.3 |
-2.5 |
0.973 |
0 |
0 |
0 |
0.003 |
| 41 |
47 |
|
B |
1 |
1 |
20743 |
◊ |
[PO4]A:3005 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
187 |
24.8 |
-0.1 |
0.986 |
1 |
0 |
0 |
0.000 |
| 42 |
48 |
|
C |
3 |
1 |
21080 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
20235 |
20.5 |
0.4 |
0.791 |
0 |
0 |
0 |
0.000 |
| 43 |
49 |
|
[PO4]C:3017 |
1 |
1 |
184 |
f |
[PO4]C:3014 |
x,y,z |
1_555 |
3 |
1 |
185 |
18.9 |
-1.9 |
0.891 |
0 |
0 |
0 |
0.003 |
| 44 |
50 |
|
[ATP]B:1001 |
1 |
1 |
630 |
f |
[PO4]B:3013 |
x,y,z |
1_555 |
1 |
1 |
184 |
16.3 |
-0.7 |
0.673 |
0 |
0 |
0 |
0.001 |
| 45 |
51 |
|
[PO4]C:3010 |
3 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
20235 |
12.1 |
-0.6 |
0.805 |
0 |
0 |
0 |
0.000 |
| 46 |
52 |
|
[PO4]D:3011 |
2 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
21080 |
10.2 |
-0.5 |
0.790 |
0 |
0 |
0 |
0.000 |
| 47 |
53 |
|
[PO4]B:3006 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
20683 |
3.8 |
-0.2 |
0.723 |
0 |
0 |
0 |
0.000 |
| 48 |
54 |
|
[ATP]C:1002 |
1 |
1 |
630 |
f |
[PO4]C:3014 |
x,y,z |
1_555 |
1 |
1 |
185 |
1.1 |
-0.0 |
0.566 |
0 |
0 |
0 |
0.000 |
| 49 |
55 |
|
C |
1 |
1 |
21080 |
◊ |
[ATP]D:1004 |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
615 |
1.0 |
0.0 |
0.568 |
0 |
0 |
0 |
0.000 |
| 50 |
56 |
|
[ATP]C:1002 |
1 |
1 |
630 |
f |
[PO4]C:3017 |
x,y,z |
1_555 |
1 |
1 |
184 |
0.4 |
-0.0 |
0.566 |
0 |
0 |
0 |
0.000 |
|