| ## |
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 |
38 |
9 |
1780 |
◊ |
A |
x,y,z |
1_555 |
34 |
8 |
1756 |
330.8 |
-3.6 |
0.595 |
6 |
0 |
0 |
0.014 |
2 |
|
D |
38 |
9 |
1738 |
◊ |
C |
x,y,z |
1_555 |
38 |
9 |
1813 |
326.7 |
-3.8 |
0.582 |
6 |
0 |
0 |
0.014 |
| Average: |
328.8 |
-3.7 |
0.589 |
6 |
0 |
0 |
0.014 |
| 2 |
3 |
|
[HAO]C:11 |
14 |
1 |
415 |
cf |
C |
x,y,z |
1_555 |
19 |
6 |
1813 |
144.1 |
0.3 |
0.757 |
4 |
0 |
0 |
0.065 |
4 |
|
[HAO]A:11 |
15 |
1 |
413 |
cf |
A |
x,y,z |
1_555 |
20 |
7 |
1756 |
143.6 |
0.2 |
0.786 |
4 |
0 |
0 |
0.065 |
5 |
|
[HAO]D:11 |
15 |
1 |
416 |
cf |
D |
x,y,z |
1_555 |
18 |
6 |
1738 |
142.4 |
0.2 |
0.770 |
4 |
0 |
0 |
0.065 |
6 |
|
[HAO]B:11 |
16 |
1 |
418 |
cf |
B |
x,y,z |
1_555 |
18 |
7 |
1780 |
134.3 |
0.2 |
0.760 |
4 |
0 |
0 |
0.065 |
| Average: |
141.1 |
0.2 |
0.768 |
4 |
0 |
0 |
0.065 |
| 3 |
7 |
|
[MPD]A:101 |
7 |
1 |
277 |
f |
A |
x,y,z |
1_555 |
16 |
4 |
1756 |
107.9 |
-6.7 |
0.854 |
2 |
0 |
0 |
0.138 |
| 4 |
8 |
|
[MPD]C:101 |
7 |
1 |
277 |
f |
C |
x,y,z |
1_555 |
16 |
4 |
1813 |
105.0 |
-6.5 |
0.846 |
0 |
0 |
0 |
0.138 |
| 5 |
9 |
|
[MPD]B:102 |
6 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
16 |
4 |
1780 |
104.4 |
-6.8 |
0.767 |
1 |
0 |
0 |
0.131 |
| 6 |
10 |
|
[MPD]D:104 |
6 |
1 |
280 |
f |
D |
x,y,z |
1_555 |
16 |
4 |
1738 |
104.4 |
-6.5 |
0.818 |
0 |
0 |
0 |
0.138 |
| 7 |
11 |
|
[MPD]B:103 |
7 |
1 |
281 |
f |
B |
x,y,z |
1_555 |
18 |
5 |
1780 |
102.6 |
-6.3 |
0.831 |
0 |
0 |
0 |
0.113 |
| 8 |
12 |
|
D |
10 |
3 |
1738 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
10 |
3 |
1813 |
88.8 |
-2.6 |
0.181 |
0 |
0 |
0 |
0.054 |
13 |
|
A |
11 |
3 |
1756 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
3 |
1780 |
87.6 |
-2.5 |
0.208 |
0 |
0 |
0 |
0.054 |
| Average: |
88.2 |
-2.5 |
0.194 |
0 |
0 |
0 |
0.054 |
| 9 |
14 |
|
A |
8 |
3 |
1756 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
4 |
1756 |
82.0 |
-1.7 |
0.436 |
0 |
0 |
0 |
0.000 |
15 |
|
C |
16 |
4 |
1813 |
x |
C |
-x,y-1/2,-z |
2_545 |
7 |
3 |
1813 |
81.6 |
-1.7 |
0.383 |
0 |
0 |
0 |
0.000 |
16 |
|
D |
8 |
3 |
1738 |
x |
D |
-x,y-1/2,-z |
2_545 |
16 |
4 |
1738 |
73.3 |
-1.7 |
0.409 |
0 |
0 |
0 |
0.000 |
17 |
|
B |
18 |
4 |
1780 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
3 |
1780 |
73.3 |
-1.6 |
0.451 |
0 |
0 |
0 |
0.000 |
| Average: |
77.6 |
-1.7 |
0.420 |
0 |
0 |
0 |
0.000 |
| 10 |
18 |
|
[HAO]D:11 |
6 |
1 |
416 |
◊ |
C |
x,y-1,z |
1_545 |
10 |
1 |
1813 |
67.7 |
-2.5 |
0.353 |
1 |
0 |
0 |
0.109 |
19 |
|
D |
10 |
1 |
1738 |
◊ |
[HAO]C:11 |
x,y-1,z |
1_545 |
6 |
1 |
415 |
67.7 |
-2.4 |
0.358 |
1 |
0 |
0 |
0.109 |
20 |
|
[HAO]A:11 |
6 |
1 |
413 |
◊ |
B |
x,y-1,z |
1_545 |
10 |
1 |
1780 |
66.4 |
-2.4 |
0.359 |
1 |
0 |
0 |
0.109 |
21 |
|
A |
10 |
1 |
1756 |
◊ |
[HAO]B:11 |
x,y-1,z |
1_545 |
6 |
1 |
418 |
64.4 |
-2.3 |
0.359 |
1 |
0 |
0 |
0.109 |
| Average: |
66.6 |
-2.4 |
0.357 |
1 |
0 |
0 |
0.109 |
| 11 |
22 |
|
[MPD]C:101 |
5 |
1 |
277 |
f |
[HAO]C:11 |
x,y,z |
1_555 |
14 |
1 |
415 |
67.4 |
-3.6 |
0.864 |
0 |
0 |
0 |
0.077 |
| 12 |
23 |
|
[PO4]B:101 |
4 |
1 |
192 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
1780 |
63.4 |
-3.5 |
0.862 |
2 |
0 |
0 |
0.080 |
| 13 |
24 |
|
[PO4]D:101 |
4 |
1 |
192 |
f |
D |
x,y,z |
1_555 |
8 |
2 |
1738 |
62.0 |
-3.6 |
0.875 |
2 |
0 |
0 |
0.094 |
| 14 |
25 |
|
[MPD]B:103 |
5 |
1 |
281 |
f |
[HAO]B:11 |
x,y,z |
1_555 |
13 |
1 |
418 |
56.7 |
-3.2 |
0.859 |
1 |
0 |
0 |
0.066 |
| 15 |
26 |
|
A |
5 |
2 |
1756 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
5 |
2 |
1780 |
56.2 |
-0.0 |
0.690 |
1 |
2 |
0 |
0.000 |
| 16 |
27 |
|
[MPD]A:101 |
4 |
1 |
277 |
f |
[HAO]A:11 |
x,y,z |
1_555 |
8 |
1 |
413 |
56.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.052 |
| 17 |
28 |
|
[MPD]D:103 |
5 |
1 |
277 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
1738 |
55.9 |
-3.3 |
0.653 |
1 |
0 |
0 |
0.080 |
| 18 |
29 |
|
[MPD]A:102 |
4 |
1 |
280 |
f |
B |
x,y-1,z |
1_545 |
8 |
4 |
1780 |
55.8 |
-3.4 |
0.646 |
1 |
0 |
0 |
0.069 |
| 19 |
30 |
|
[MPD]D:104 |
5 |
1 |
280 |
f |
[HAO]D:11 |
x,y,z |
1_555 |
9 |
1 |
416 |
55.2 |
-2.7 |
0.845 |
0 |
0 |
0 |
0.056 |
| 20 |
31 |
|
[MPD]D:103 |
5 |
1 |
277 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
11 |
3 |
1813 |
53.5 |
-3.3 |
0.617 |
0 |
0 |
0 |
0.070 |
| 21 |
32 |
|
[HAO]D:11 |
11 |
1 |
416 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
7 |
1 |
1813 |
53.4 |
-1.3 |
0.408 |
0 |
0 |
0 |
0.053 |
33 |
|
D |
7 |
1 |
1738 |
◊ |
[HAO]C:11 |
-x,y-1/2,-z |
2_545 |
10 |
1 |
415 |
49.4 |
-1.2 |
0.396 |
0 |
0 |
0 |
0.053 |
34 |
|
[HAO]A:11 |
11 |
1 |
413 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
1 |
1780 |
48.6 |
-1.2 |
0.423 |
0 |
0 |
0 |
0.053 |
35 |
|
A |
7 |
1 |
1756 |
◊ |
[HAO]B:11 |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
1 |
418 |
47.6 |
-1.2 |
0.413 |
0 |
0 |
0 |
0.053 |
| Average: |
49.8 |
-1.2 |
0.410 |
0 |
0 |
0 |
0.053 |
| 22 |
36 |
|
[MPD]A:102 |
4 |
1 |
280 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
3 |
1780 |
52.3 |
-3.3 |
0.619 |
0 |
0 |
0 |
0.000 |
| 23 |
37 |
|
[MPD]D:103 |
4 |
1 |
277 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
12 |
3 |
1738 |
52.0 |
-3.4 |
0.648 |
0 |
0 |
0 |
0.000 |
| 24 |
38 |
|
[MPD]A:102 |
6 |
1 |
280 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
1756 |
50.6 |
-2.9 |
0.619 |
1 |
0 |
0 |
0.055 |
| 25 |
39 |
|
[MPD]A:102 |
5 |
1 |
280 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
3 |
1756 |
50.3 |
-3.2 |
0.635 |
0 |
0 |
0 |
0.058 |
| 26 |
40 |
|
[MPD]D:103 |
6 |
1 |
277 |
◊ |
C |
x,y-1,z |
1_545 |
5 |
3 |
1813 |
50.0 |
-2.9 |
0.609 |
1 |
0 |
0 |
0.063 |
| 27 |
41 |
|
[MPD]B:102 |
5 |
1 |
280 |
f |
[HAO]B:11 |
x,y,z |
1_555 |
8 |
1 |
418 |
49.6 |
-2.5 |
0.000 |
1 |
0 |
0 |
0.053 |
| 28 |
42 |
|
B |
4 |
1 |
1780 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
1813 |
48.5 |
-0.2 |
0.632 |
1 |
1 |
0 |
0.000 |
| 29 |
43 |
|
C |
6 |
2 |
1813 |
◊ |
[PO4]D:101 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
192 |
46.5 |
-2.7 |
0.777 |
1 |
0 |
0 |
0.000 |
| 30 |
44 |
|
[PO4]B:101 |
4 |
1 |
192 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
2 |
1756 |
45.5 |
-2.6 |
0.796 |
1 |
0 |
0 |
0.000 |
| 31 |
45 |
|
[PO4]D:102 |
4 |
1 |
193 |
f |
D |
x,y,z |
1_555 |
4 |
1 |
1738 |
45.4 |
-2.3 |
0.807 |
1 |
0 |
0 |
0.059 |
| 32 |
46 |
|
B |
4 |
2 |
1780 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
1756 |
39.4 |
-0.3 |
0.626 |
1 |
0 |
0 |
0.000 |
47 |
|
C |
5 |
2 |
1813 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
4 |
2 |
1738 |
37.6 |
-0.2 |
0.636 |
1 |
0 |
0 |
0.000 |
| Average: |
38.5 |
-0.2 |
0.631 |
1 |
0 |
0 |
0.000 |
| 33 |
48 |
|
[MPD]A:102 |
5 |
1 |
280 |
◊ |
[HAO]A:11 |
x,y,z |
1_555 |
8 |
1 |
413 |
38.4 |
-1.9 |
0.000 |
1 |
0 |
0 |
0.039 |
| 34 |
49 |
|
[MPD]D:103 |
5 |
1 |
277 |
f |
[HAO]D:11 |
x,y,z |
1_555 |
9 |
1 |
416 |
37.9 |
-1.6 |
0.000 |
1 |
0 |
0 |
0.044 |
| 35 |
50 |
|
[PO4]D:102 |
4 |
1 |
193 |
f |
[PO4]D:101 |
x,y,z |
1_555 |
4 |
1 |
192 |
36.0 |
-3.3 |
0.973 |
0 |
0 |
0 |
0.070 |
| 36 |
51 |
|
A |
8 |
3 |
1756 |
◊ |
[MPD]B:103 |
x,y-1,z |
1_545 |
2 |
1 |
281 |
35.2 |
-2.0 |
0.808 |
0 |
0 |
0 |
0.033 |
| 37 |
52 |
|
[MPD]A:102 |
5 |
1 |
280 |
f |
[HAO]B:11 |
x,y-1,z |
1_545 |
9 |
1 |
418 |
35.2 |
-1.7 |
0.000 |
1 |
0 |
0 |
0.039 |
| 38 |
53 |
|
[MPD]D:103 |
5 |
1 |
277 |
◊ |
[HAO]C:11 |
x,y-1,z |
1_545 |
8 |
1 |
415 |
35.0 |
-1.7 |
0.000 |
1 |
0 |
0 |
0.041 |
| 39 |
54 |
|
[MPD]B:103 |
2 |
1 |
281 |
f |
[MPD]B:102 |
x,y,z |
1_555 |
1 |
1 |
280 |
30.9 |
-3.0 |
0.748 |
0 |
0 |
0 |
0.054 |
| 40 |
55 |
|
D |
3 |
1 |
1738 |
◊ |
[MPD]C:101 |
x,y-1,z |
1_545 |
3 |
1 |
277 |
26.8 |
-1.5 |
0.000 |
1 |
0 |
0 |
0.038 |
| 41 |
56 |
|
[HAO]D:11 |
4 |
1 |
416 |
◊ |
[HAO]C:11 |
x,y-1,z |
1_545 |
4 |
1 |
415 |
25.8 |
-1.3 |
0.426 |
0 |
0 |
0 |
0.024 |
57 |
|
[HAO]A:11 |
4 |
1 |
413 |
◊ |
[HAO]B:11 |
x,y-1,z |
1_545 |
4 |
1 |
418 |
24.4 |
-1.2 |
0.432 |
0 |
0 |
0 |
0.024 |
| Average: |
25.1 |
-1.3 |
0.429 |
0 |
0 |
0 |
0.024 |
| 42 |
58 |
|
D |
6 |
3 |
1738 |
◊ |
[PO4]D:101 |
-x,y-1/2,-z |
2_545 |
2 |
1 |
192 |
25.4 |
-1.8 |
0.773 |
0 |
0 |
0 |
0.000 |
| 43 |
59 |
|
C |
4 |
2 |
1813 |
◊ |
[PO4]D:102 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
193 |
22.3 |
-1.1 |
0.863 |
0 |
0 |
0 |
0.000 |
| 44 |
60 |
|
A |
3 |
1 |
1756 |
◊ |
B |
x,y-1,z |
1_545 |
3 |
1 |
1780 |
21.2 |
0.5 |
0.810 |
0 |
0 |
0 |
0.000 |
61 |
|
D |
3 |
1 |
1738 |
◊ |
C |
x,y-1,z |
1_545 |
3 |
1 |
1813 |
20.2 |
0.4 |
0.793 |
0 |
0 |
0 |
0.000 |
| Average: |
20.7 |
0.4 |
0.802 |
0 |
0 |
0 |
0.000 |
| 45 |
62 |
|
[PO4]B:101 |
1 |
1 |
192 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
1780 |
19.9 |
-1.4 |
0.718 |
0 |
0 |
0 |
0.000 |
| 46 |
63 |
|
[MPD]A:101 |
2 |
1 |
277 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
1780 |
17.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 47 |
64 |
|
D |
2 |
1 |
1738 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
1756 |
10.7 |
0.2 |
0.770 |
0 |
0 |
0 |
0.000 |
| 48 |
65 |
|
C |
2 |
1 |
1813 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
1780 |
6.6 |
0.3 |
0.770 |
0 |
0 |
0 |
0.000 |
| 49 |
66 |
|
C |
1 |
1 |
1813 |
◊ |
[MPD]C:101 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
277 |
2.5 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 50 |
67 |
|
[PO4]D:101 |
1 |
1 |
192 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
1813 |
1.8 |
-0.1 |
0.693 |
0 |
0 |
0 |
0.000 |
| 51 |
68 |
|
[MPD]A:101 |
1 |
1 |
277 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
1 |
1780 |
1.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
| 52 |
69 |
|
[PO4]B:101 |
1 |
1 |
192 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
1756 |
0.4 |
-0.0 |
0.751 |
0 |
0 |
0 |
0.000 |
|