| ## |
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 |
78 |
19 |
13928 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
78 |
22 |
13928 |
664.7 |
2.4 |
0.628 |
10 |
4 |
0 |
0.000 |
2 |
|
A |
77 |
19 |
13950 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
70 |
19 |
13950 |
618.5 |
0.3 |
0.560 |
11 |
4 |
0 |
0.000 |
| Average: |
641.6 |
1.4 |
0.594 |
11 |
4 |
0 |
0.000 |
| 2 |
3 |
|
A |
30 |
10 |
13950 |
x |
A |
-x,y-1/2,-z |
2_545 |
47 |
16 |
13950 |
343.4 |
-3.0 |
0.294 |
1 |
1 |
0 |
0.000 |
4 |
|
B |
35 |
11 |
13928 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
50 |
19 |
13928 |
343.3 |
-2.1 |
0.382 |
2 |
2 |
0 |
0.000 |
| Average: |
343.4 |
-2.5 |
0.338 |
2 |
2 |
0 |
0.000 |
| 3 |
5 |
|
B |
34 |
8 |
13928 |
x |
B |
x-1,y,z |
1_455 |
39 |
11 |
13928 |
323.4 |
2.1 |
0.725 |
7 |
7 |
0 |
0.000 |
6 |
|
A |
34 |
8 |
13950 |
x |
A |
x-1,y,z |
1_455 |
42 |
12 |
13950 |
317.9 |
2.5 |
0.761 |
7 |
6 |
0 |
0.000 |
| Average: |
320.6 |
2.3 |
0.743 |
7 |
7 |
0 |
0.000 |
| 4 |
7 |
|
B |
14 |
7 |
13928 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
10 |
4 |
13950 |
96.8 |
0.5 |
0.667 |
1 |
2 |
0 |
0.000 |
| 5 |
8 |
|
[PO4]A:401 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
13950 |
84.2 |
-3.8 |
0.777 |
3 |
0 |
0 |
0.015 |
9 |
|
[PO4]B:401 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
13928 |
83.8 |
-3.8 |
0.784 |
3 |
0 |
0 |
0.015 |
| Average: |
84.0 |
-3.8 |
0.781 |
3 |
0 |
0 |
0.015 |
| 6 |
10 |
|
A |
5 |
2 |
13950 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
7 |
3 |
13928 |
54.0 |
0.1 |
0.456 |
0 |
1 |
0 |
0.000 |
| 7 |
11 |
|
B |
7 |
3 |
13928 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
6 |
3 |
13950 |
44.8 |
0.6 |
0.733 |
0 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
13950 |
39.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.030 |
13 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
13928 |
37.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.030 |
14 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
13950 |
28.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.030 |
15 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
13928 |
27.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.030 |
| Average: |
33.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.030 |
| 9 |
16 |
|
[MG]A:404 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
13950 |
37.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.011 |
17 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
13928 |
36.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
37.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.011 |
| 10 |
18 |
|
A |
3 |
2 |
13950 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
3 |
1 |
13928 |
30.0 |
0.3 |
0.742 |
0 |
1 |
0 |
0.000 |
| 11 |
19 |
|
A |
3 |
1 |
13950 |
◊ |
[PO4]A:401 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
188 |
28.4 |
-0.3 |
0.958 |
1 |
0 |
0 |
0.000 |
20 |
|
B |
2 |
1 |
13928 |
◊ |
[PO4]B:401 |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
188 |
25.2 |
-0.7 |
0.941 |
1 |
0 |
0 |
0.000 |
| Average: |
26.8 |
-0.5 |
0.949 |
1 |
0 |
0 |
0.000 |
| 12 |
21 |
|
[MG]A:404 |
1 |
1 |
98 |
f |
[PO4]A:401 |
x,y,z |
1_555 |
3 |
1 |
188 |
25.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.011 |
22 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
[PO4]B:401 |
x,y,z |
1_555 |
3 |
1 |
188 |
24.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
24.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.011 |
| 13 |
23 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
[PO4]A:401 |
x,y,z |
1_555 |
3 |
1 |
188 |
23.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.010 |
24 |
|
[MG]B:402 |
1 |
1 |
98 |
f |
[PO4]B:401 |
x,y,z |
1_555 |
3 |
1 |
188 |
22.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.010 |
| Average: |
22.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.010 |
| 14 |
25 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
[PO4]A:401 |
x,y,z |
1_555 |
3 |
1 |
188 |
22.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.010 |
26 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
[PO4]B:401 |
x,y,z |
1_555 |
3 |
1 |
188 |
22.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.010 |
| Average: |
22.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.010 |
| 15 |
27 |
|
B |
3 |
2 |
13928 |
◊ |
[MG]B:404 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
98 |
15.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
|
A |
3 |
1 |
13950 |
◊ |
[MG]A:404 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
98 |
15.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
|
B |
2 |
1 |
13928 |
◊ |
[MG]B:403 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
98 |
11.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
|
A |
3 |
1 |
13950 |
◊ |
[MG]A:403 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
98 |
11.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
13.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 16 |
31 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
[MG]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.008 |
| 17 |
32 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
[MG]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.008 |
| 18 |
33 |
|
[MG]A:404 |
1 |
1 |
98 |
f |
[MG]A:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.006 |
| 19 |
34 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
[MG]B:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.005 |
| 20 |
35 |
|
A |
1 |
1 |
13950 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
13928 |
6.4 |
0.3 |
0.842 |
0 |
0 |
0 |
0.000 |
| 21 |
36 |
|
[MG]A:404 |
1 |
1 |
98 |
f |
[MG]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|