| ## |
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 |
|
C |
313 |
87 |
17074 |
◊ |
C |
-x,y,-z |
2_555 |
308 |
86 |
17074 |
2958.4 |
-20.8 |
0.164 |
40 |
6 |
0 |
0.658 |
2 |
|
B |
311 |
84 |
16862 |
◊ |
A |
x,y,z |
1_555 |
307 |
82 |
17045 |
2918.4 |
-21.4 |
0.190 |
41 |
7 |
0 |
0.658 |
| Average: |
2938.4 |
-21.1 |
0.177 |
41 |
7 |
0 |
0.658 |
| 2 |
3 |
|
C |
92 |
26 |
17074 |
◊ |
B |
-x,y,-z+1 |
2_556 |
97 |
34 |
16862 |
783.7 |
2.9 |
0.853 |
7 |
5 |
0 |
0.000 |
| 3 |
4 |
|
C |
71 |
22 |
17074 |
◊ |
B |
x,y,z |
1_555 |
59 |
17 |
16862 |
577.4 |
-1.1 |
0.507 |
5 |
6 |
0 |
0.000 |
| 4 |
5 |
|
B |
48 |
13 |
16862 |
◊ |
A |
-x-1/2,y-1/2,-z+1 |
4_446 |
40 |
13 |
17045 |
356.6 |
0.1 |
0.685 |
13 |
2 |
0 |
0.000 |
| 5 |
6 |
|
A |
25 |
10 |
17045 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
32 |
9 |
17074 |
294.7 |
4.0 |
0.918 |
5 |
5 |
0 |
0.000 |
| 6 |
7 |
|
A |
37 |
16 |
17045 |
◊ |
B |
-x-1/2,y-1/2,-z+1 |
4_446 |
33 |
11 |
16862 |
294.1 |
1.0 |
0.760 |
4 |
2 |
0 |
0.000 |
| 7 |
8 |
|
[CIT]C:501 |
10 |
1 |
312 |
◊ |
C |
-x,y,-z |
2_555 |
19 |
8 |
17074 |
147.2 |
3.0 |
0.703 |
5 |
0 |
0 |
0.000 |
9 |
|
[CIT]A:501 |
10 |
1 |
310 |
◊ |
A |
x,y,z |
1_555 |
20 |
9 |
17045 |
146.5 |
3.2 |
0.745 |
5 |
0 |
0 |
0.000 |
10 |
|
[CIT]B:501 |
10 |
1 |
311 |
◊ |
B |
x,y,z |
1_555 |
18 |
8 |
16862 |
142.4 |
1.4 |
0.526 |
5 |
0 |
0 |
0.000 |
| Average: |
145.4 |
2.6 |
0.658 |
5 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[PO4]B:502 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
29 |
14 |
16862 |
131.5 |
-8.2 |
0.698 |
5 |
0 |
0 |
0.168 |
| 9 |
12 |
|
[PO4]A:502 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
28 |
14 |
17045 |
130.9 |
-8.1 |
0.738 |
4 |
0 |
0 |
0.158 |
| 10 |
13 |
|
[PO4]C:502 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
25 |
14 |
17074 |
130.6 |
-8.5 |
0.633 |
3 |
0 |
0 |
0.328 |
| 11 |
14 |
|
[CIT]A:501 |
10 |
1 |
310 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
16862 |
120.4 |
-0.0 |
0.422 |
2 |
0 |
0 |
0.039 |
15 |
|
[CIT]B:501 |
10 |
1 |
311 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
17045 |
118.8 |
0.5 |
0.439 |
2 |
0 |
0 |
0.039 |
16 |
|
[CIT]C:501 |
10 |
1 |
312 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
17074 |
117.9 |
-0.3 |
0.368 |
2 |
0 |
0 |
0.039 |
| Average: |
119.1 |
0.1 |
0.409 |
2 |
0 |
0 |
0.039 |
| 12 |
17 |
|
A |
13 |
5 |
17045 |
◊ |
C |
-x-1/2,y-1/2,-z |
4_445 |
13 |
5 |
17074 |
104.5 |
1.4 |
0.821 |
0 |
0 |
0 |
0.000 |
| 13 |
18 |
|
C |
10 |
5 |
17074 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
10 |
4 |
17045 |
74.9 |
0.9 |
0.737 |
1 |
1 |
0 |
0.000 |
| 14 |
19 |
|
C |
2 |
1 |
17074 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
17045 |
11.3 |
0.3 |
0.819 |
0 |
0 |
0 |
0.000 |
| 15 |
20 |
|
A |
1 |
1 |
17045 |
◊ |
C |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
17074 |
9.6 |
0.3 |
0.836 |
0 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[PO4]C:502 |
4 |
1 |
188 |
◊ |
[CIT]C:501 |
-x,y,-z |
2_555 |
1 |
1 |
312 |
7.9 |
-0.1 |
0.500 |
0 |
0 |
0 |
0.003 |
| 17 |
22 |
|
[PO4]A:502 |
4 |
1 |
187 |
◊ |
[CIT]A:501 |
x,y,z |
1_555 |
1 |
1 |
310 |
7.6 |
-0.1 |
0.500 |
0 |
0 |
0 |
0.001 |
| 18 |
23 |
|
[PO4]B:502 |
4 |
1 |
188 |
◊ |
[CIT]B:501 |
x,y,z |
1_555 |
1 |
1 |
311 |
7.0 |
-0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
|