## |
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 |
439 |
111 |
20751 |
◊ |
A |
x,y,z |
1_555 |
447 |
113 |
21016 |
4094.8 |
-40.8 |
0.005 |
77 |
16 |
0 |
0.821 |
2 |
2 |
|
A |
42 |
13 |
21016 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
49 |
18 |
20751 |
392.6 |
2.7 |
0.748 |
6 |
3 |
0 |
0.000 |
3 |
3 |
|
B |
30 |
9 |
20751 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
28 |
9 |
20751 |
293.1 |
-1.9 |
0.316 |
3 |
0 |
0 |
0.000 |
4 |
|
A |
30 |
7 |
21016 |
x |
A |
-x,y-1/2,-z |
2_545 |
31 |
9 |
21016 |
281.8 |
-2.7 |
0.258 |
2 |
0 |
0 |
0.000 |
Average: |
287.5 |
-2.3 |
0.287 |
3 |
0 |
0 |
0.000 |
4 |
5 |
|
A |
24 |
6 |
21016 |
◊ |
B |
x,y,z-1 |
1_554 |
22 |
6 |
20751 |
212.1 |
-3.1 |
0.179 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
[EDO]A:604 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
17 |
10 |
21016 |
126.7 |
3.5 |
0.524 |
1 |
0 |
0 |
0.000 |
6 |
7 |
|
[EDO]B:604 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
18 |
11 |
20751 |
124.0 |
3.5 |
0.540 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
[PO4]B:601 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
20751 |
108.5 |
-4.6 |
0.821 |
6 |
0 |
0 |
0.077 |
8 |
9 |
|
[PO4]A:601 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
21016 |
107.8 |
-4.7 |
0.816 |
6 |
0 |
0 |
0.078 |
9 |
10 |
|
[EDO]A:606 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
21016 |
101.3 |
3.7 |
0.511 |
3 |
0 |
0 |
0.000 |
10 |
11 |
|
[PO4]A:602 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
21016 |
97.3 |
-4.5 |
0.797 |
6 |
0 |
0 |
0.076 |
11 |
12 |
|
[PO4]B:602 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
20751 |
96.8 |
-4.6 |
0.798 |
6 |
0 |
0 |
0.077 |
12 |
13 |
|
[EDO]A:605 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
21016 |
87.1 |
3.4 |
0.317 |
1 |
0 |
0 |
0.000 |
13 |
14 |
|
[EDO]B:605 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
20751 |
85.3 |
2.0 |
0.263 |
2 |
0 |
0 |
0.000 |
14 |
15 |
|
[EDO]B:606 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
13 |
7 |
20751 |
84.9 |
3.6 |
0.548 |
1 |
0 |
0 |
0.000 |
15 |
16 |
|
[EDO]A:603 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
20751 |
81.0 |
2.1 |
0.406 |
3 |
0 |
0 |
0.000 |
16 |
17 |
|
[EDO]B:603 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
19 |
8 |
21016 |
80.6 |
2.0 |
0.405 |
2 |
0 |
0 |
0.000 |
17 |
18 |
|
A |
8 |
4 |
21016 |
◊ |
[EDO]B:605 |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
184 |
62.5 |
2.3 |
0.285 |
0 |
0 |
0 |
0.000 |
18 |
19 |
|
[EDO]B:603 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
20751 |
57.1 |
1.3 |
0.193 |
1 |
0 |
0 |
0.000 |
19 |
20 |
|
[EDO]A:603 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
21016 |
56.4 |
1.2 |
0.194 |
1 |
0 |
0 |
0.000 |
20 |
21 |
|
[PO4]B:602 |
5 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
21016 |
52.7 |
-1.9 |
0.880 |
2 |
0 |
0 |
0.030 |
21 |
22 |
|
[PO4]A:602 |
5 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
20751 |
50.9 |
-1.9 |
0.862 |
2 |
0 |
0 |
0.030 |
22 |
23 |
|
[EDO]A:605 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
20751 |
32.3 |
2.0 |
0.980 |
0 |
0 |
0 |
0.000 |
23 |
24 |
|
[EDO]B:606 |
3 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
21016 |
32.1 |
1.9 |
0.978 |
0 |
0 |
0 |
0.000 |
24 |
25 |
|
[EDO]B:606 |
3 |
1 |
186 |
f |
[PO4]A:601 |
x,y,z |
1_555 |
1 |
1 |
187 |
24.8 |
-1.0 |
0.894 |
1 |
0 |
0 |
0.015 |
25 |
26 |
|
[EDO]A:605 |
3 |
1 |
183 |
f |
[PO4]B:601 |
x,y,z |
1_555 |
3 |
1 |
188 |
24.7 |
-0.4 |
0.996 |
0 |
0 |
0 |
0.004 |
26 |
27 |
|
[PO4]B:601 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
21016 |
21.1 |
-1.0 |
0.813 |
0 |
0 |
0 |
0.010 |
27 |
28 |
|
A |
1 |
1 |
21016 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
3 |
2 |
20751 |
17.8 |
0.5 |
0.622 |
0 |
0 |
0 |
0.000 |
28 |
29 |
|
[PO4]A:601 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20751 |
17.0 |
-0.9 |
0.801 |
0 |
0 |
0 |
0.009 |
29 |
30 |
|
[EDO]A:605 |
2 |
1 |
183 |
◊ |
[PO4]A:602 |
x,y,z |
1_555 |
1 |
1 |
188 |
13.6 |
-0.2 |
0.894 |
0 |
0 |
0 |
0.002 |
30 |
31 |
|
[EDO]B:606 |
2 |
1 |
186 |
◊ |
[PO4]B:602 |
x,y,z |
1_555 |
3 |
1 |
188 |
11.7 |
-0.1 |
0.996 |
0 |
0 |
0 |
0.001 |
31 |
32 |
|
[PO4]B:601 |
3 |
1 |
188 |
◊ |
[PO4]A:602 |
x,y,z |
1_555 |
3 |
1 |
188 |
8.6 |
-0.7 |
0.992 |
0 |
0 |
0 |
0.007 |
32 |
33 |
|
[PO4]B:602 |
3 |
1 |
188 |
◊ |
[PO4]A:601 |
x,y,z |
1_555 |
4 |
1 |
187 |
8.2 |
-0.6 |
0.995 |
0 |
0 |
0 |
0.006 |
33 |
34 |
|
[EDO]B:603 |
1 |
1 |
185 |
f |
[PO4]B:602 |
x,y,z |
1_555 |
1 |
1 |
188 |
3.8 |
-0.1 |
0.894 |
0 |
0 |
0 |
0.000 |
34 |
35 |
|
[EDO]A:603 |
1 |
1 |
186 |
f |
[PO4]A:602 |
x,y,z |
1_555 |
1 |
1 |
188 |
3.7 |
-0.0 |
0.894 |
0 |
0 |
0 |
0.000 |
35 |
36 |
|
B |
1 |
1 |
20751 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
20751 |
3.4 |
0.2 |
0.797 |
0 |
0 |
0 |
0.000 |
36 |
37 |
|
[EDO]A:604 |
1 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
20751 |
2.1 |
-0.0 |
0.643 |
0 |
0 |
0 |
0.000 |
37 |
38 |
|
[EDO]B:604 |
1 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
21016 |
1.3 |
-0.0 |
0.696 |
0 |
0 |
0 |
0.000 |
|