| ## |
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 |
405 |
106 |
23576 |
◊ |
C |
x,y,z |
1_555 |
411 |
102 |
9330 |
3979.9 |
-50.3 |
0.017 |
49 |
12 |
0 |
0.916 |
2 |
|
B |
416 |
107 |
23658 |
◊ |
A |
x,y,z |
1_555 |
412 |
100 |
9391 |
3968.9 |
-52.2 |
0.009 |
47 |
9 |
0 |
0.916 |
| Average: |
3974.4 |
-51.3 |
0.013 |
48 |
11 |
0 |
0.916 |
| 2 |
3 |
|
D |
107 |
32 |
23576 |
◊ |
D |
-x,y,-z |
2_555 |
106 |
32 |
23576 |
966.2 |
-7.1 |
0.374 |
10 |
4 |
0 |
0.051 |
4 |
|
B |
107 |
32 |
23658 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
107 |
32 |
23658 |
948.4 |
-8.2 |
0.295 |
12 |
2 |
0 |
0.051 |
| Average: |
957.3 |
-7.7 |
0.335 |
11 |
3 |
0 |
0.051 |
| 3 |
5 |
|
D |
34 |
9 |
23576 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
33 |
9 |
23658 |
303.6 |
-1.7 |
0.494 |
3 |
2 |
0 |
0.000 |
| 4 |
6 |
|
B |
25 |
8 |
23658 |
x |
B |
x,y-1,z |
1_545 |
29 |
8 |
23658 |
236.6 |
1.5 |
0.788 |
4 |
1 |
0 |
0.000 |
7 |
|
D |
22 |
5 |
23576 |
x |
D |
x,y-1,z |
1_545 |
26 |
9 |
23576 |
187.3 |
1.5 |
0.810 |
2 |
0 |
0 |
0.000 |
| Average: |
211.9 |
1.5 |
0.799 |
3 |
1 |
0 |
0.000 |
| 5 |
8 |
|
D |
27 |
7 |
23576 |
◊ |
B |
x,y-1,z |
1_545 |
24 |
8 |
23658 |
217.5 |
-0.7 |
0.581 |
2 |
0 |
0 |
0.000 |
9 |
|
D |
23 |
8 |
23576 |
◊ |
B |
x,y,z |
1_555 |
25 |
8 |
23658 |
213.4 |
-1.4 |
0.475 |
1 |
0 |
0 |
0.000 |
| Average: |
215.5 |
-1.1 |
0.528 |
2 |
0 |
0 |
0.000 |
| 6 |
10 |
|
D |
28 |
8 |
23576 |
◊ |
A |
x,y-1,z |
1_545 |
18 |
4 |
9391 |
214.0 |
-1.4 |
0.462 |
2 |
0 |
0 |
0.000 |
11 |
|
B |
28 |
8 |
23658 |
◊ |
C |
x,y,z |
1_555 |
18 |
4 |
9330 |
203.7 |
-1.4 |
0.441 |
2 |
0 |
0 |
0.000 |
| Average: |
208.9 |
-1.4 |
0.452 |
2 |
0 |
0 |
0.000 |
| 7 |
12 |
|
C |
22 |
5 |
9330 |
x |
C |
-x+1/2,y-1/2,-z |
4_545 |
19 |
5 |
9330 |
179.5 |
-0.7 |
0.646 |
1 |
0 |
0 |
0.000 |
| 8 |
13 |
|
A |
20 |
5 |
9391 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
17 |
4 |
9391 |
157.9 |
-1.7 |
0.487 |
0 |
0 |
0 |
0.000 |
| 9 |
14 |
|
D |
16 |
5 |
23576 |
x |
D |
-x+1/2,y-1/2,-z |
4_545 |
10 |
2 |
23576 |
116.8 |
-0.4 |
0.275 |
0 |
1 |
0 |
0.000 |
15 |
|
B |
13 |
5 |
23658 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
14 |
4 |
23658 |
108.3 |
0.2 |
0.674 |
0 |
0 |
0 |
0.000 |
| Average: |
112.6 |
-0.1 |
0.474 |
0 |
1 |
0 |
0.000 |
| 10 |
16 |
|
[PO4]D:1523 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
23576 |
106.5 |
-7.4 |
0.679 |
4 |
0 |
0 |
0.109 |
| 11 |
17 |
|
[PO4]B:1523 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
23658 |
106.2 |
-7.3 |
0.677 |
4 |
0 |
0 |
0.139 |
| 12 |
18 |
|
[EDO]D:1524 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
21 |
13 |
23576 |
96.1 |
2.7 |
0.623 |
5 |
0 |
0 |
0.000 |
| 13 |
19 |
|
[EDO]B:1524 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
21 |
13 |
23658 |
95.9 |
4.3 |
0.809 |
2 |
0 |
0 |
0.000 |
| 14 |
20 |
|
A |
9 |
3 |
9391 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
10 |
3 |
23658 |
74.0 |
0.0 |
0.643 |
0 |
0 |
0 |
0.000 |
21 |
|
C |
5 |
2 |
9330 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
2 |
2 |
23576 |
16.2 |
0.3 |
0.748 |
0 |
0 |
0 |
0.000 |
| Average: |
45.1 |
0.2 |
0.695 |
0 |
0 |
0 |
0.000 |
| 15 |
22 |
|
D |
9 |
2 |
23576 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
11 |
5 |
23658 |
71.4 |
-1.2 |
0.360 |
0 |
0 |
0 |
0.000 |
| 16 |
23 |
|
D |
8 |
3 |
23576 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
6 |
1 |
23658 |
55.1 |
-1.0 |
0.342 |
0 |
0 |
0 |
0.000 |
| 17 |
24 |
|
B |
6 |
2 |
23658 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
2 |
9391 |
48.6 |
-0.3 |
0.353 |
0 |
0 |
0 |
0.000 |
| 18 |
25 |
|
[EDO]D:1524 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
9330 |
29.9 |
0.3 |
0.798 |
2 |
0 |
0 |
0.006 |
| 19 |
26 |
|
[EDO]B:1524 |
3 |
1 |
185 |
f |
[PO4]B:1523 |
x,y,z |
1_555 |
3 |
1 |
189 |
27.8 |
-0.9 |
0.996 |
0 |
0 |
0 |
0.013 |
| 20 |
27 |
|
[EDO]B:1524 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
9391 |
27.2 |
0.3 |
0.805 |
1 |
0 |
0 |
0.001 |
| 21 |
28 |
|
[EDO]D:1524 |
2 |
1 |
185 |
f |
[PO4]D:1523 |
x,y,z |
1_555 |
3 |
1 |
189 |
26.9 |
-0.9 |
0.996 |
0 |
0 |
0 |
0.011 |
| 22 |
29 |
|
D |
2 |
1 |
23576 |
◊ |
C |
x,y-1,z |
1_545 |
1 |
1 |
9330 |
8.7 |
0.3 |
0.748 |
0 |
0 |
0 |
0.000 |
30 |
|
B |
2 |
1 |
23658 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
9391 |
6.2 |
0.2 |
0.762 |
0 |
0 |
0 |
0.000 |
| Average: |
7.5 |
0.3 |
0.755 |
0 |
0 |
0 |
0.000 |
| 23 |
31 |
|
[PO4]D:1523 |
1 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
9330 |
3.6 |
-0.2 |
0.678 |
0 |
0 |
0 |
0.003 |
| 24 |
32 |
|
[PO4]B:1523 |
1 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
9391 |
2.7 |
-0.2 |
0.683 |
0 |
0 |
0 |
0.002 |
|