## |
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 |
77 |
23 |
8718 |
◊ |
A |
x,y,z |
1_555 |
85 |
24 |
8785 |
710.6 |
-3.8 |
0.502 |
5 |
2 |
0 |
0.075 |
2 |
2 |
|
[NDP]A:201 |
48 |
1 |
926 |
f |
A |
x,y,z |
1_555 |
82 |
30 |
8785 |
638.1 |
-3.9 |
0.485 |
26 |
0 |
0 |
0.357 |
3 |
|
[NDP]B:302 |
48 |
1 |
926 |
f |
B |
x,y,z |
1_555 |
87 |
29 |
8718 |
627.4 |
-4.7 |
0.421 |
23 |
0 |
0 |
0.357 |
Average: |
632.8 |
-4.3 |
0.453 |
25 |
0 |
0 |
0.357 |
3 |
4 |
|
B |
58 |
18 |
8718 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
72 |
23 |
8785 |
560.8 |
-6.0 |
0.305 |
5 |
2 |
0 |
0.000 |
4 |
5 |
|
B |
65 |
22 |
8718 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
59 |
17 |
8785 |
526.8 |
-3.9 |
0.434 |
6 |
2 |
0 |
0.000 |
5 |
6 |
|
[RQ1]A:202 |
28 |
1 |
563 |
f |
A |
x,y,z |
1_555 |
54 |
20 |
8785 |
397.4 |
0.5 |
0.538 |
3 |
0 |
0 |
0.010 |
6 |
7 |
|
[RQ1]B:304 |
27 |
1 |
609 |
f |
B |
x,y,z |
1_555 |
50 |
19 |
8718 |
392.6 |
-1.1 |
0.402 |
2 |
0 |
0 |
0.023 |
7 |
8 |
|
B |
38 |
10 |
8718 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
49 |
15 |
8718 |
352.0 |
-2.4 |
0.443 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
A |
37 |
12 |
8785 |
x |
A |
-x+1/2,-y,z-1/2 |
2_554 |
30 |
11 |
8785 |
302.7 |
-2.2 |
0.423 |
2 |
0 |
0 |
0.000 |
9 |
10 |
|
A |
29 |
7 |
8785 |
◊ |
B |
x-1,y,z |
1_455 |
31 |
7 |
8718 |
251.0 |
-0.9 |
0.579 |
3 |
3 |
0 |
0.000 |
10 |
11 |
|
A |
20 |
8 |
8785 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
20 |
5 |
8785 |
226.7 |
-2.5 |
0.208 |
3 |
0 |
0 |
0.000 |
11 |
12 |
|
B |
18 |
5 |
8718 |
x |
B |
-x+3/2,-y,z-1/2 |
2_654 |
16 |
8 |
8718 |
169.2 |
-3.1 |
0.115 |
0 |
0 |
0 |
0.000 |
12 |
13 |
|
[PO4]B:305 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
8718 |
68.4 |
-2.8 |
0.935 |
3 |
0 |
0 |
0.048 |
13 |
14 |
|
[PO4]A:204 |
4 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
8785 |
63.4 |
-2.7 |
0.896 |
1 |
0 |
0 |
0.037 |
14 |
15 |
|
[PO4]B:307 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
8718 |
60.6 |
-1.9 |
0.953 |
4 |
0 |
0 |
0.043 |
15 |
16 |
|
[PO4]A:203 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
8785 |
59.8 |
-2.2 |
0.941 |
2 |
0 |
0 |
0.037 |
16 |
17 |
|
[PO4]B:306 |
4 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
8718 |
54.8 |
-2.2 |
0.919 |
4 |
0 |
0 |
0.046 |
17 |
18 |
|
[RQ1]B:304 |
10 |
1 |
609 |
f |
[NDP]B:302 |
x,y,z |
1_555 |
5 |
1 |
926 |
54.2 |
0.7 |
0.478 |
0 |
0 |
0 |
0.000 |
18 |
19 |
|
[CO]B:303 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
8718 |
54.2 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.163 |
20 |
|
[CO]B:301 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
8785 |
47.8 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.163 |
Average: |
51.0 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.163 |
19 |
21 |
|
[RQ1]A:202 |
6 |
1 |
563 |
f |
[NDP]A:201 |
x,y,z |
1_555 |
6 |
1 |
926 |
49.0 |
0.6 |
0.537 |
1 |
0 |
0 |
0.000 |
20 |
22 |
|
[PO4]A:204 |
4 |
1 |
189 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
1 |
8718 |
47.9 |
-1.7 |
0.931 |
1 |
0 |
0 |
0.000 |
21 |
23 |
|
[CO]B:301 |
1 |
1 |
125 |
cf |
B |
x,y,z |
1_555 |
6 |
3 |
8718 |
39.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.111 |
24 |
|
[CO]B:303 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
8785 |
37.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.111 |
Average: |
38.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.111 |
22 |
25 |
|
[PO4]A:204 |
4 |
1 |
189 |
f |
[NDP]A:201 |
x,y,z |
1_555 |
5 |
1 |
926 |
35.7 |
-1.1 |
0.836 |
1 |
0 |
0 |
0.018 |
23 |
26 |
|
A |
6 |
3 |
8785 |
◊ |
[PO4]B:307 |
x-1,y,z |
1_455 |
4 |
1 |
187 |
30.8 |
-1.2 |
0.901 |
0 |
0 |
0 |
0.000 |
24 |
27 |
|
[PO4]B:307 |
1 |
1 |
187 |
f |
[NDP]B:302 |
x,y,z |
1_555 |
5 |
1 |
926 |
19.7 |
-1.7 |
0.533 |
0 |
0 |
0 |
0.019 |
25 |
28 |
|
[CO]B:303 |
1 |
1 |
125 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
2 |
8785 |
12.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
|
B |
3 |
1 |
8718 |
◊ |
[CO]B:301 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
125 |
12.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
12.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
[PO4]A:203 |
1 |
1 |
188 |
f |
[NDP]A:201 |
x,y,z |
1_555 |
2 |
1 |
926 |
8.9 |
-0.7 |
0.544 |
0 |
0 |
0 |
0.008 |
27 |
31 |
|
[PO4]B:305 |
2 |
1 |
189 |
f |
[NDP]B:302 |
x,y,z |
1_555 |
2 |
1 |
926 |
8.2 |
-0.5 |
0.649 |
0 |
0 |
0 |
0.006 |
28 |
32 |
|
[PO4]B:307 |
1 |
1 |
187 |
f |
[PO4]B:305 |
x,y,z |
1_555 |
1 |
1 |
189 |
6.0 |
-0.6 |
0.800 |
0 |
0 |
0 |
0.008 |
|