| ## |
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 |
|
1R |
165 |
52 |
15904 |
◊ |
R |
x,y,z |
1_555 |
165 |
52 |
15904 |
1590.7 |
-19.8 |
0.140 |
22 |
4 |
0 |
0.936 |
2 |
|
1G |
170 |
53 |
15767 |
◊ |
G |
x,y,z |
1_555 |
170 |
53 |
15767 |
1520.4 |
-26.1 |
0.035 |
6 |
4 |
0 |
0.936 |
| Average: |
1555.5 |
-22.9 |
0.087 |
14 |
4 |
0 |
0.936 |
| 2 |
3 |
|
R |
135 |
35 |
15904 |
◊ |
G |
x,y,z |
1_555 |
129 |
36 |
15767 |
1154.9 |
-12.2 |
0.345 |
14 |
0 |
0 |
0.502 |
| 3 |
4 |
|
1G |
84 |
26 |
15767 |
◊ |
1R |
-x+1,y-1/2,-z+1/2 |
3_645 |
84 |
26 |
15904 |
795.4 |
1.4 |
0.874 |
4 |
1 |
0 |
0.000 |
| 4 |
5 |
|
R |
71 |
25 |
15904 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
74 |
21 |
15767 |
596.3 |
-3.9 |
0.603 |
2 |
1 |
0 |
0.000 |
| 5 |
6 |
|
R |
59 |
18 |
15904 |
◊ |
1G |
-x+1/2,-y,z-1/2 |
2_554 |
61 |
19 |
15767 |
544.4 |
2.4 |
0.909 |
5 |
4 |
0 |
0.005 |
| 6 |
7 |
|
[NAD]G:335 |
43 |
1 |
822 |
f |
G |
x,y,z |
1_555 |
80 |
30 |
15767 |
529.1 |
-7.0 |
0.458 |
5 |
0 |
0 |
1.000 |
8 |
|
[NAD]R:339 |
43 |
1 |
816 |
f |
R |
x,y,z |
1_555 |
74 |
30 |
15904 |
527.8 |
-7.3 |
0.363 |
4 |
0 |
0 |
1.000 |
| Average: |
528.4 |
-7.1 |
0.410 |
5 |
0 |
0 |
1.000 |
| 7 |
9 |
|
G |
52 |
15 |
15767 |
◊ |
1R |
x,y,z-1 |
1_554 |
45 |
12 |
15904 |
423.5 |
-3.4 |
0.522 |
2 |
0 |
0 |
0.000 |
| 8 |
10 |
|
1R |
28 |
11 |
15904 |
◊ |
G |
x,y,z |
1_555 |
33 |
12 |
15767 |
243.3 |
-2.2 |
0.506 |
0 |
0 |
0 |
0.032 |
| 9 |
11 |
|
1G |
13 |
4 |
15767 |
◊ |
G |
-x+1,y-1/2,-z+1/2 |
3_645 |
15 |
4 |
15767 |
112.2 |
0.4 |
0.772 |
0 |
1 |
0 |
0.000 |
| 10 |
12 |
|
3[ACE]G:0 |
3 |
1 |
172 |
cf |
R |
x,y,z |
1_555 |
16 |
4 |
15904 |
82.8 |
-1.2 |
0.726 |
0 |
0 |
0 |
0.132 |
13 |
|
[ACE]G:0 |
3 |
1 |
172 |
cf |
G |
x,y,z |
1_555 |
10 |
3 |
15767 |
74.5 |
-1.3 |
0.696 |
0 |
0 |
0 |
0.132 |
| Average: |
78.7 |
-1.2 |
0.711 |
0 |
0 |
0 |
0.132 |
| 11 |
14 |
|
2[PO4]R:338 |
1 |
1 |
137 |
f |
1G |
x,y,z |
1_555 |
13 |
7 |
15767 |
82.6 |
2.5 |
0.846 |
0 |
0 |
0 |
0.000 |
15 |
|
2[PO4]R:336 |
1 |
1 |
137 |
f |
G |
x,y,z |
1_555 |
14 |
9 |
15767 |
79.6 |
2.4 |
0.850 |
0 |
0 |
0 |
0.000 |
16 |
|
1R |
9 |
5 |
15904 |
f |
[PO4]R:336 |
x,y,z |
1_555 |
1 |
1 |
137 |
72.8 |
2.8 |
0.838 |
0 |
0 |
0 |
0.000 |
17 |
|
[PO4]R:338 |
1 |
1 |
137 |
f |
R |
x,y,z |
1_555 |
8 |
5 |
15904 |
72.5 |
3.0 |
0.840 |
0 |
0 |
0 |
0.000 |
| Average: |
76.9 |
2.7 |
0.844 |
0 |
0 |
0 |
0.000 |
| 12 |
18 |
|
3[ACE]R:0 |
3 |
1 |
171 |
◊ |
G |
x,y,z |
1_555 |
13 |
4 |
15767 |
75.6 |
-1.0 |
0.727 |
0 |
0 |
0 |
0.095 |
19 |
|
[ACE]R:0 |
3 |
1 |
171 |
c |
R |
x,y,z |
1_555 |
9 |
4 |
15904 |
73.1 |
-0.7 |
0.765 |
0 |
0 |
0 |
0.095 |
| Average: |
74.3 |
-0.8 |
0.746 |
0 |
0 |
0 |
0.095 |
| 13 |
20 |
|
2[PO4]R:335 |
1 |
1 |
137 |
◊ |
G |
x,y,z |
1_555 |
11 |
5 |
15767 |
62.3 |
2.2 |
0.836 |
0 |
0 |
0 |
0.000 |
21 |
|
1[PO4]R:335 |
1 |
1 |
137 |
◊ |
R |
x,y,z |
1_555 |
10 |
5 |
15904 |
57.8 |
2.2 |
0.906 |
0 |
0 |
0 |
0.000 |
22 |
|
3[PO4]R:337 |
1 |
1 |
137 |
◊ |
G |
x,y,z |
1_555 |
7 |
3 |
15767 |
44.2 |
1.0 |
0.717 |
0 |
0 |
0 |
0.000 |
23 |
|
[PO4]R:337 |
1 |
1 |
137 |
◊ |
R |
x,y,z |
1_555 |
8 |
5 |
15904 |
29.4 |
0.9 |
0.887 |
0 |
0 |
0 |
0.000 |
| Average: |
48.4 |
1.6 |
0.836 |
0 |
0 |
0 |
0.000 |
| 14 |
24 |
|
3[ACE]R:0 |
2 |
1 |
171 |
◊ |
[ACE]G:0 |
x,y,z |
1_555 |
3 |
1 |
172 |
59.1 |
-0.9 |
0.801 |
0 |
0 |
0 |
0.098 |
| 15 |
25 |
|
[ACE]R:0 |
3 |
1 |
171 |
f |
1G |
-x+1/2,-y,z-1/2 |
2_554 |
9 |
3 |
15767 |
43.6 |
-0.3 |
0.755 |
0 |
0 |
0 |
0.010 |
| 16 |
26 |
|
1[PO4]R:337 |
1 |
1 |
137 |
f |
[PO4]R:335 |
x,y,z |
1_555 |
1 |
1 |
137 |
43.5 |
2.0 |
1.000 |
0 |
0 |
0 |
0.000 |
| 17 |
27 |
|
[PO4]R:337 |
1 |
1 |
137 |
◊ |
[NAD]R:339 |
x,y,z |
1_555 |
8 |
1 |
816 |
41.5 |
0.8 |
0.770 |
0 |
0 |
0 |
0.000 |
| 18 |
28 |
|
3[PO4]R:337 |
1 |
1 |
137 |
◊ |
[NAD]G:335 |
x,y,z |
1_555 |
9 |
1 |
822 |
39.0 |
0.4 |
0.773 |
0 |
0 |
0 |
0.000 |
29 |
|
1[PO4]R:335 |
1 |
1 |
137 |
◊ |
[NAD]R:339 |
x,y,z |
1_555 |
6 |
1 |
816 |
17.7 |
0.3 |
0.790 |
0 |
0 |
0 |
0.000 |
30 |
|
2[PO4]R:335 |
1 |
1 |
137 |
◊ |
[NAD]G:335 |
x,y,z |
1_555 |
6 |
1 |
822 |
13.4 |
0.2 |
0.797 |
0 |
0 |
0 |
0.000 |
| Average: |
23.4 |
0.3 |
0.787 |
0 |
0 |
0 |
0.000 |
| 19 |
31 |
|
[NAD]G:335 |
4 |
1 |
822 |
◊ |
R |
x,y,z |
1_555 |
5 |
3 |
15904 |
29.0 |
-1.9 |
0.313 |
0 |
0 |
0 |
0.080 |
32 |
|
[NAD]R:339 |
4 |
1 |
816 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
15767 |
18.7 |
-1.0 |
0.347 |
0 |
0 |
0 |
0.080 |
| Average: |
23.8 |
-1.5 |
0.330 |
0 |
0 |
0 |
0.080 |
| 20 |
33 |
|
1G |
3 |
1 |
15767 |
◊ |
G |
-x+1,y-1/2,-z-1/2 |
3_644 |
6 |
3 |
15767 |
26.3 |
0.6 |
0.683 |
0 |
0 |
0 |
0.000 |
| 21 |
34 |
|
3[ACE]G:0 |
3 |
1 |
172 |
◊ |
1G |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
2 |
15767 |
21.9 |
0.1 |
0.671 |
0 |
0 |
0 |
0.000 |
| 22 |
35 |
|
R |
3 |
3 |
15904 |
f |
2[ACE]R:0 |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
171 |
16.2 |
0.1 |
0.865 |
0 |
0 |
0 |
0.000 |
|