| ## |
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 |
|
X |
201 |
14 |
3864 |
◊ |
B |
x,y,z |
1_555 |
227 |
77 |
30724 |
1855.7 |
-26.3 |
0.605 |
36 |
0 |
0 |
0.796 |
2 |
|
C |
193 |
15 |
3869 |
◊ |
A |
x,y,z |
1_555 |
217 |
76 |
30425 |
1812.4 |
-27.3 |
0.622 |
33 |
0 |
0 |
0.796 |
| Average: |
1834.0 |
-26.8 |
0.613 |
35 |
0 |
0 |
0.796 |
| 2 |
3 |
|
B |
119 |
41 |
30724 |
◊ |
A |
-x+2,y-1/2,-z |
2_745 |
134 |
42 |
30425 |
1197.3 |
-2.7 |
0.747 |
6 |
3 |
0 |
0.014 |
| 3 |
4 |
|
B |
72 |
27 |
30724 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
75 |
25 |
30425 |
619.5 |
-7.2 |
0.304 |
5 |
0 |
0 |
0.204 |
| 4 |
5 |
|
B |
49 |
16 |
30724 |
◊ |
A |
x,y,z-1 |
1_554 |
61 |
16 |
30425 |
494.9 |
-0.5 |
0.703 |
1 |
4 |
0 |
0.000 |
| 5 |
6 |
|
B |
47 |
16 |
30724 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
52 |
15 |
30425 |
430.9 |
-3.1 |
0.502 |
4 |
0 |
0 |
0.012 |
| 6 |
7 |
|
B |
45 |
10 |
30724 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
46 |
13 |
30425 |
430.0 |
1.5 |
0.797 |
3 |
0 |
0 |
0.000 |
| 7 |
8 |
|
A |
58 |
17 |
30425 |
x |
A |
x-1,y,z |
1_455 |
52 |
18 |
30425 |
428.7 |
1.6 |
0.829 |
6 |
8 |
0 |
0.000 |
| 8 |
9 |
|
H |
42 |
10 |
2530 |
◊ |
A |
x,y,z |
1_555 |
45 |
18 |
30425 |
393.5 |
-14.6 |
0.351 |
4 |
0 |
0 |
1.000 |
10 |
|
Y |
43 |
11 |
2331 |
◊ |
B |
x,y,z |
1_555 |
45 |
17 |
30724 |
345.6 |
-9.8 |
0.386 |
1 |
0 |
0 |
1.000 |
| Average: |
369.6 |
-12.2 |
0.368 |
3 |
0 |
0 |
1.000 |
| 9 |
11 |
|
H |
40 |
9 |
2530 |
◊ |
C |
x,y,z |
1_555 |
35 |
9 |
3869 |
382.7 |
-3.3 |
0.850 |
25 |
0 |
0 |
0.658 |
12 |
|
Y |
40 |
8 |
2331 |
◊ |
X |
x,y,z |
1_555 |
38 |
9 |
3864 |
368.0 |
-2.7 |
0.833 |
20 |
0 |
0 |
0.658 |
| Average: |
375.3 |
-3.0 |
0.841 |
23 |
0 |
0 |
0.658 |
| 10 |
13 |
|
A |
48 |
16 |
30425 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
45 |
18 |
30425 |
371.2 |
0.1 |
0.720 |
3 |
4 |
0 |
0.000 |
| 11 |
14 |
|
B |
44 |
17 |
30724 |
◊ |
A |
x,y,z |
1_555 |
38 |
14 |
30425 |
315.9 |
-4.8 |
0.285 |
1 |
0 |
0 |
0.012 |
| 12 |
15 |
|
B |
23 |
9 |
30724 |
x |
B |
x-1,y,z |
1_455 |
27 |
12 |
30724 |
242.9 |
1.7 |
0.695 |
2 |
4 |
0 |
0.000 |
| 13 |
16 |
|
B |
16 |
7 |
30724 |
x |
B |
-x+2,y-1/2,-z |
2_745 |
11 |
5 |
30724 |
85.7 |
0.9 |
0.756 |
0 |
0 |
0 |
0.000 |
| 14 |
17 |
|
X |
9 |
2 |
3864 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
8 |
3 |
30425 |
78.2 |
-2.2 |
0.429 |
0 |
0 |
0 |
0.000 |
| 15 |
18 |
|
H |
9 |
3 |
2530 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
9 |
5 |
30425 |
59.1 |
-2.3 |
0.510 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[MG]A:686 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
30425 |
46.8 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.323 |
| 17 |
20 |
|
[MG]X:22 |
1 |
1 |
98 |
f |
X |
x,y,z |
1_555 |
6 |
2 |
3864 |
39.3 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.360 |
21 |
|
[MG]C:22 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
3869 |
39.0 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.360 |
| Average: |
39.1 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.360 |
| 18 |
22 |
|
[MG]X:22 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
9 |
6 |
30724 |
37.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.082 |
23 |
|
[MG]C:22 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
30425 |
34.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.082 |
| Average: |
35.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.082 |
| 19 |
24 |
|
B |
4 |
1 |
30724 |
◊ |
H |
x,y,z-1 |
1_554 |
5 |
1 |
2530 |
34.7 |
0.4 |
0.774 |
0 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[MG]A:686 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
2530 |
11.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.057 |
| 21 |
26 |
|
[PO4]C:23 |
1 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
3869 |
11.4 |
-0.9 |
0.389 |
0 |
0 |
0 |
0.040 |
| 22 |
27 |
|
Y |
2 |
1 |
2331 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
30425 |
5.7 |
-0.2 |
0.382 |
0 |
0 |
0 |
0.000 |
| 23 |
28 |
|
A |
1 |
1 |
30425 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
30724 |
5.5 |
-0.0 |
0.493 |
0 |
0 |
0 |
0.000 |
|