## |
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 |
36 |
9 |
1729 |
◊ |
A |
x,y,z |
1_555 |
34 |
8 |
1752 |
320.4 |
-2.7 |
0.704 |
6 |
0 |
0 |
0.149 |
2 |
|
D |
36 |
9 |
1823 |
◊ |
C |
x,y,z |
1_555 |
35 |
8 |
1812 |
315.0 |
-4.0 |
0.495 |
6 |
0 |
0 |
0.149 |
Average: |
317.7 |
-3.4 |
0.600 |
6 |
0 |
0 |
0.149 |
2 |
3 |
|
[HAO]C:11 |
15 |
1 |
416 |
cf |
C |
x,y,z |
1_555 |
21 |
7 |
1812 |
148.5 |
0.2 |
0.751 |
4 |
0 |
0 |
0.080 |
4 |
|
[HAO]A:11 |
15 |
1 |
416 |
cf |
A |
x,y,z |
1_555 |
19 |
7 |
1752 |
147.4 |
0.2 |
0.780 |
4 |
0 |
0 |
0.080 |
5 |
|
[HAO]B:11 |
15 |
1 |
414 |
cf |
B |
x,y,z |
1_555 |
17 |
6 |
1729 |
147.0 |
0.1 |
0.772 |
4 |
0 |
0 |
0.080 |
6 |
|
[HAO]D:11 |
15 |
1 |
414 |
cf |
D |
x,y,z |
1_555 |
19 |
7 |
1823 |
142.8 |
0.2 |
0.747 |
4 |
0 |
0 |
0.080 |
Average: |
146.4 |
0.2 |
0.763 |
4 |
0 |
0 |
0.080 |
3 |
7 |
|
[MPD]D:103 |
6 |
1 |
280 |
f |
D |
x,y,z |
1_555 |
15 |
4 |
1823 |
115.6 |
-7.2 |
0.778 |
1 |
0 |
0 |
0.170 |
4 |
8 |
|
[MPD]A:103 |
7 |
1 |
280 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
1752 |
96.2 |
-6.3 |
0.708 |
0 |
0 |
0 |
0.156 |
5 |
9 |
|
[MPD]C:102 |
6 |
1 |
280 |
f |
C |
x,y,z |
1_555 |
15 |
4 |
1812 |
94.9 |
-6.2 |
0.725 |
1 |
0 |
0 |
0.150 |
6 |
10 |
|
B |
10 |
3 |
1729 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
10 |
3 |
1752 |
93.2 |
-2.7 |
0.201 |
0 |
0 |
0 |
0.064 |
11 |
|
C |
10 |
3 |
1812 |
◊ |
D |
-x-1/2,y-1/2,-z-1 |
4_444 |
10 |
3 |
1823 |
86.5 |
-2.5 |
0.182 |
0 |
0 |
0 |
0.064 |
Average: |
89.8 |
-2.6 |
0.191 |
0 |
0 |
0 |
0.064 |
7 |
12 |
|
A |
16 |
4 |
1752 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
8 |
3 |
1752 |
83.4 |
-1.8 |
0.425 |
0 |
0 |
0 |
0.000 |
13 |
|
D |
16 |
3 |
1823 |
x |
D |
-x-1/2,y-1/2,-z-1 |
4_444 |
8 |
3 |
1823 |
82.2 |
-1.6 |
0.400 |
0 |
0 |
0 |
0.000 |
14 |
|
C |
9 |
3 |
1812 |
x |
C |
-x-1/2,y-1/2,-z-1 |
4_444 |
17 |
4 |
1812 |
79.0 |
-1.8 |
0.424 |
0 |
0 |
0 |
0.000 |
15 |
|
B |
5 |
2 |
1729 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
9 |
2 |
1729 |
41.5 |
-1.2 |
0.353 |
0 |
0 |
0 |
0.000 |
Average: |
71.5 |
-1.6 |
0.400 |
0 |
0 |
0 |
0.000 |
8 |
16 |
|
[MPD]B:102 |
5 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
1729 |
79.6 |
-4.3 |
0.872 |
1 |
0 |
0 |
0.118 |
9 |
17 |
|
C |
10 |
1 |
1812 |
◊ |
[HAO]D:11 |
x,y-1,z |
1_545 |
7 |
1 |
414 |
72.7 |
-2.5 |
0.370 |
1 |
0 |
0 |
0.129 |
18 |
|
[HAO]C:11 |
7 |
1 |
416 |
◊ |
D |
x,y-1,z |
1_545 |
10 |
1 |
1823 |
69.0 |
-2.4 |
0.392 |
1 |
0 |
0 |
0.129 |
19 |
|
B |
11 |
2 |
1729 |
◊ |
[HAO]A:11 |
x,y-1,z |
1_545 |
10 |
1 |
416 |
68.2 |
-2.2 |
0.485 |
1 |
0 |
0 |
0.129 |
20 |
|
[HAO]B:11 |
7 |
1 |
414 |
◊ |
A |
x,y-1,z |
1_545 |
10 |
1 |
1752 |
67.5 |
-2.5 |
0.394 |
1 |
0 |
0 |
0.129 |
Average: |
69.3 |
-2.4 |
0.410 |
1 |
0 |
0 |
0.129 |
10 |
21 |
|
[MPD]B:102 |
5 |
1 |
280 |
f |
[HAO]B:11 |
x,y,z |
1_555 |
14 |
1 |
414 |
63.5 |
-3.9 |
0.844 |
1 |
0 |
0 |
0.108 |
11 |
22 |
|
[PO4]B:101 |
4 |
1 |
192 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
1729 |
59.2 |
-3.1 |
0.881 |
2 |
0 |
0 |
0.100 |
12 |
23 |
|
[PO4]D:101 |
4 |
1 |
192 |
f |
D |
x,y,z |
1_555 |
7 |
2 |
1823 |
57.4 |
-3.0 |
0.860 |
2 |
0 |
0 |
0.087 |
13 |
24 |
|
B |
7 |
1 |
1729 |
◊ |
[HAO]A:11 |
-x+1/2,y-1/2,-z |
4_545 |
11 |
1 |
416 |
56.7 |
-1.5 |
0.424 |
0 |
0 |
0 |
0.065 |
25 |
|
[HAO]B:11 |
11 |
1 |
414 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
7 |
1 |
1752 |
49.3 |
-1.2 |
0.423 |
0 |
0 |
0 |
0.065 |
26 |
|
[HAO]C:11 |
11 |
1 |
416 |
◊ |
D |
-x-1/2,y-1/2,-z-1 |
4_444 |
7 |
1 |
1823 |
49.3 |
-1.2 |
0.416 |
0 |
0 |
0 |
0.065 |
27 |
|
C |
7 |
1 |
1812 |
◊ |
[HAO]D:11 |
-x-1/2,y-1/2,-z-1 |
4_444 |
11 |
1 |
414 |
48.9 |
-1.2 |
0.397 |
0 |
0 |
0 |
0.065 |
Average: |
51.0 |
-1.3 |
0.415 |
0 |
0 |
0 |
0.065 |
14 |
28 |
|
[MPD]C:101 |
6 |
1 |
275 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
1812 |
53.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.082 |
29 |
|
A |
12 |
4 |
1752 |
f |
[MPD]A:102 |
-x+1/2,y-1/2,-z |
4_545 |
6 |
1 |
274 |
53.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.082 |
Average: |
53.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.082 |
15 |
30 |
|
B |
13 |
4 |
1729 |
◊ |
[MPD]A:102 |
-x+1/2,y-1/2,-z |
4_545 |
5 |
1 |
274 |
52.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.079 |
31 |
|
[MPD]C:101 |
6 |
1 |
275 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
1823 |
49.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
51.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.079 |
16 |
32 |
|
[MPD]C:101 |
3 |
1 |
275 |
◊ |
D |
-x-1/2,y-1/2,-z-1 |
4_444 |
7 |
4 |
1823 |
52.5 |
-3.1 |
0.593 |
0 |
0 |
0 |
0.070 |
33 |
|
B |
7 |
4 |
1729 |
◊ |
[MPD]A:102 |
x,y-1,z |
1_545 |
4 |
1 |
274 |
52.0 |
-2.8 |
0.695 |
0 |
0 |
0 |
0.070 |
Average: |
52.2 |
-3.0 |
0.644 |
0 |
0 |
0 |
0.070 |
17 |
34 |
|
[MPD]C:102 |
5 |
1 |
280 |
f |
[HAO]C:11 |
x,y,z |
1_555 |
8 |
1 |
416 |
51.5 |
-2.6 |
0.847 |
0 |
0 |
0 |
0.057 |
18 |
35 |
|
[MPD]D:103 |
5 |
1 |
280 |
f |
[HAO]D:11 |
x,y,z |
1_555 |
8 |
1 |
414 |
51.4 |
-2.6 |
0.847 |
0 |
0 |
0 |
0.058 |
19 |
36 |
|
[MPD]A:103 |
5 |
1 |
280 |
f |
[HAO]A:11 |
x,y,z |
1_555 |
10 |
1 |
416 |
50.0 |
-2.6 |
0.840 |
1 |
0 |
0 |
0.076 |
20 |
37 |
|
C |
6 |
3 |
1812 |
◊ |
[MPD]C:101 |
-x-1/2,y-1/2,-z-1 |
4_444 |
5 |
1 |
275 |
48.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
|
[MPD]A:102 |
4 |
1 |
274 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
1752 |
46.8 |
-2.9 |
0.663 |
0 |
0 |
0 |
0.000 |
Average: |
47.9 |
-2.9 |
0.331 |
0 |
0 |
0 |
0.000 |
21 |
39 |
|
[MPD]B:102 |
3 |
1 |
280 |
◊ |
A |
x,y-1,z |
1_545 |
9 |
3 |
1752 |
45.9 |
-2.6 |
0.838 |
1 |
0 |
0 |
0.069 |
22 |
40 |
|
[PO4]A:101 |
4 |
1 |
193 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
1752 |
45.6 |
-2.3 |
0.828 |
1 |
0 |
0 |
0.067 |
23 |
41 |
|
A |
6 |
2 |
1752 |
◊ |
[PO4]B:101 |
-x+1/2,y-1/2,-z |
4_545 |
4 |
1 |
192 |
44.4 |
-2.6 |
0.789 |
1 |
0 |
0 |
0.000 |
24 |
42 |
|
[PO4]D:102 |
5 |
1 |
190 |
◊ |
B |
-x,y-1,-z |
2_545 |
6 |
2 |
1729 |
43.8 |
-2.0 |
0.829 |
1 |
0 |
0 |
0.027 |
25 |
43 |
|
[PO4]D:101 |
4 |
1 |
192 |
◊ |
C |
-x-1/2,y-1/2,-z-1 |
4_444 |
6 |
2 |
1812 |
43.5 |
-2.5 |
0.779 |
1 |
0 |
0 |
0.000 |
26 |
44 |
|
[PO4]D:102 |
4 |
1 |
190 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
1823 |
43.5 |
-2.0 |
0.803 |
1 |
0 |
0 |
0.054 |
27 |
45 |
|
[HAO]B:11 |
9 |
1 |
414 |
◊ |
[MPD]A:102 |
x,y-1,z |
1_545 |
4 |
1 |
274 |
41.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.049 |
46 |
|
[MPD]C:101 |
4 |
1 |
275 |
◊ |
[HAO]D:11 |
-x-1/2,y-1/2,-z-1 |
4_444 |
9 |
1 |
414 |
40.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.049 |
Average: |
40.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.049 |
28 |
47 |
|
D |
4 |
2 |
1823 |
◊ |
C |
-x-1/2,y-1/2,-z-1 |
4_444 |
4 |
2 |
1812 |
38.1 |
-0.3 |
0.607 |
1 |
0 |
0 |
0.000 |
48 |
|
A |
4 |
2 |
1752 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
4 |
2 |
1729 |
37.9 |
-0.2 |
0.629 |
1 |
0 |
0 |
0.000 |
Average: |
38.0 |
-0.2 |
0.618 |
1 |
0 |
0 |
0.000 |
29 |
49 |
|
[MPD]A:102 |
5 |
1 |
274 |
◊ |
[HAO]A:11 |
x,y,z |
1_555 |
8 |
1 |
416 |
37.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
|
[HAO]C:11 |
8 |
1 |
416 |
◊ |
[MPD]C:101 |
-x-1/2,y-1/2,-z-1 |
4_444 |
5 |
1 |
275 |
37.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
37.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
51 |
|
B |
3 |
1 |
1729 |
◊ |
[MPD]A:103 |
x,y-1,z |
1_545 |
2 |
1 |
280 |
33.6 |
-2.0 |
0.663 |
0 |
0 |
0 |
0.046 |
31 |
52 |
|
D |
2 |
1 |
1823 |
◊ |
[PO4]A:101 |
-x,y-1,-z |
2_545 |
3 |
1 |
193 |
32.7 |
-1.0 |
0.947 |
1 |
0 |
0 |
0.016 |
32 |
53 |
|
C |
3 |
1 |
1812 |
◊ |
B |
-x,y-1,-z |
2_545 |
5 |
2 |
1729 |
31.6 |
0.6 |
0.831 |
0 |
0 |
0 |
0.000 |
54 |
|
D |
2 |
1 |
1823 |
◊ |
A |
-x,y-1,-z |
2_545 |
2 |
1 |
1752 |
21.1 |
0.4 |
0.802 |
0 |
0 |
0 |
0.000 |
Average: |
26.4 |
0.5 |
0.816 |
0 |
0 |
0 |
0.000 |
33 |
55 |
|
[PO4]D:102 |
4 |
1 |
190 |
◊ |
[PO4]B:101 |
-x,y-1,-z |
2_545 |
3 |
1 |
192 |
31.4 |
-3.0 |
0.982 |
0 |
0 |
0 |
0.033 |
34 |
56 |
|
[PO4]D:102 |
4 |
1 |
190 |
f |
[PO4]D:101 |
x,y,z |
1_555 |
3 |
1 |
192 |
30.0 |
-2.8 |
0.982 |
0 |
0 |
0 |
0.063 |
35 |
57 |
|
[HAO]B:11 |
4 |
1 |
414 |
◊ |
[HAO]A:11 |
x,y-1,z |
1_545 |
4 |
1 |
416 |
27.1 |
-1.4 |
0.418 |
0 |
0 |
0 |
0.033 |
58 |
|
[HAO]C:11 |
4 |
1 |
416 |
◊ |
[HAO]D:11 |
x,y-1,z |
1_545 |
4 |
1 |
414 |
26.6 |
-1.4 |
0.432 |
0 |
0 |
0 |
0.033 |
Average: |
26.8 |
-1.4 |
0.425 |
0 |
0 |
0 |
0.033 |
36 |
59 |
|
[PO4]D:101 |
4 |
1 |
192 |
◊ |
D |
-x-1/2,y-1/2,-z-1 |
4_444 |
4 |
3 |
1823 |
26.6 |
-1.8 |
0.723 |
0 |
0 |
0 |
0.000 |
37 |
60 |
|
C |
3 |
1 |
1812 |
◊ |
D |
x,y-1,z |
1_545 |
3 |
1 |
1823 |
21.7 |
0.5 |
0.795 |
0 |
0 |
0 |
0.000 |
61 |
|
B |
3 |
1 |
1729 |
◊ |
A |
x,y-1,z |
1_545 |
2 |
1 |
1752 |
21.5 |
0.4 |
0.800 |
0 |
0 |
0 |
0.000 |
Average: |
21.6 |
0.5 |
0.797 |
0 |
0 |
0 |
0.000 |
38 |
62 |
|
D |
1 |
1 |
1823 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
1752 |
21.1 |
0.6 |
0.671 |
0 |
0 |
0 |
0.000 |
39 |
63 |
|
[PO4]D:102 |
2 |
1 |
190 |
◊ |
C |
-x-1/2,y-1/2,-z-1 |
4_444 |
4 |
2 |
1812 |
20.7 |
-1.0 |
0.847 |
0 |
0 |
0 |
0.000 |
40 |
64 |
|
[PO4]D:102 |
2 |
1 |
190 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
4 |
2 |
1752 |
20.4 |
-1.1 |
0.846 |
0 |
0 |
0 |
0.001 |
41 |
65 |
|
B |
4 |
2 |
1729 |
◊ |
[PO4]B:101 |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
192 |
20.3 |
-1.5 |
0.714 |
0 |
0 |
0 |
0.000 |
42 |
66 |
|
C |
2 |
1 |
1812 |
◊ |
[PO4]B:101 |
x-1/2,y-1/2,z-1 |
3_444 |
3 |
1 |
192 |
19.6 |
-0.7 |
0.895 |
0 |
0 |
0 |
0.000 |
43 |
67 |
|
[PO4]D:101 |
3 |
1 |
192 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
2 |
1 |
1752 |
18.8 |
-0.6 |
0.893 |
0 |
0 |
0 |
0.000 |
44 |
68 |
|
D |
1 |
1 |
1823 |
◊ |
D |
-x,y,-z-1 |
2_554 |
1 |
1 |
1823 |
11.1 |
0.3 |
0.793 |
0 |
0 |
0 |
0.000 |
45 |
69 |
|
C |
4 |
2 |
1812 |
◊ |
[PO4]A:101 |
-x,y-1,-z |
2_545 |
1 |
1 |
193 |
8.6 |
-0.5 |
0.735 |
0 |
0 |
0 |
0.005 |
46 |
70 |
|
C |
1 |
1 |
1812 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
1729 |
7.1 |
0.1 |
0.607 |
0 |
0 |
0 |
0.000 |
47 |
71 |
|
[MPD]B:102 |
1 |
1 |
280 |
◊ |
[HAO]A:11 |
x,y-1,z |
1_545 |
2 |
1 |
416 |
4.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
48 |
72 |
|
C |
1 |
1 |
1812 |
◊ |
B |
x-1/2,y-1/2,z-1 |
3_444 |
1 |
1 |
1729 |
0.8 |
0.0 |
0.715 |
0 |
0 |
0 |
0.000 |
73 |
|
D |
1 |
1 |
1823 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
1752 |
0.7 |
0.0 |
0.706 |
0 |
0 |
0 |
0.000 |
Average: |
0.7 |
0.0 |
0.711 |
0 |
0 |
0 |
0.000 |
49 |
74 |
|
[PO4]D:102 |
1 |
1 |
190 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
1812 |
0.4 |
-0.0 |
0.759 |
0 |
0 |
0 |
0.000 |
50 |
75 |
|
[PO4]D:102 |
1 |
1 |
190 |
◊ |
A |
-x,y-1,-z |
2_545 |
1 |
1 |
1752 |
0.1 |
-0.0 |
0.755 |
0 |
0 |
0 |
0.000 |
|