| ## |
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 |
225 |
64 |
13413 |
◊ |
B |
x,y,z |
1_555 |
221 |
64 |
14057 |
2332.6 |
-18.1 |
0.168 |
33 |
9 |
0 |
0.724 |
2 |
|
D |
227 |
65 |
13384 |
◊ |
A |
x,y,z |
1_555 |
221 |
66 |
14389 |
2320.9 |
-21.3 |
0.111 |
29 |
10 |
0 |
0.724 |
| Average: |
2326.7 |
-19.7 |
0.140 |
31 |
10 |
0 |
0.724 |
| 2 |
3 |
|
B |
114 |
31 |
14057 |
◊ |
A |
x,y,z |
1_555 |
120 |
31 |
14389 |
1160.4 |
-11.3 |
0.161 |
9 |
4 |
0 |
0.544 |
4 |
|
D |
96 |
22 |
13384 |
◊ |
C |
x,y,z |
1_555 |
94 |
24 |
13413 |
945.2 |
-11.7 |
0.109 |
8 |
3 |
0 |
0.544 |
| Average: |
1052.8 |
-11.5 |
0.135 |
9 |
4 |
0 |
0.544 |
| 3 |
5 |
|
D |
43 |
15 |
13384 |
◊ |
B |
x,y,z |
1_555 |
39 |
14 |
14057 |
425.3 |
-6.4 |
0.130 |
2 |
0 |
0 |
0.100 |
6 |
|
C |
39 |
15 |
13413 |
◊ |
A |
x,y,z |
1_555 |
37 |
14 |
14389 |
411.6 |
-7.0 |
0.063 |
0 |
0 |
0 |
0.100 |
| Average: |
418.4 |
-6.7 |
0.097 |
1 |
0 |
0 |
0.100 |
| 4 |
7 |
|
D |
34 |
11 |
13384 |
◊ |
C |
x-1,y,z |
1_455 |
31 |
10 |
13413 |
325.3 |
1.0 |
0.764 |
4 |
17 |
0 |
0.000 |
| 5 |
8 |
|
A |
33 |
12 |
14389 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
22 |
5 |
14057 |
234.9 |
-1.2 |
0.481 |
3 |
0 |
0 |
0.000 |
| 6 |
9 |
|
A |
22 |
7 |
14389 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
26 |
10 |
14389 |
216.9 |
-0.5 |
0.557 |
1 |
0 |
0 |
0.000 |
| 7 |
10 |
|
C |
17 |
4 |
13413 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
14 |
5 |
13384 |
169.9 |
1.5 |
0.823 |
3 |
2 |
0 |
0.000 |
| 8 |
11 |
|
C |
10 |
3 |
13413 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
9 |
3 |
14389 |
106.4 |
-0.1 |
0.552 |
0 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[PO4]B:401 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
14057 |
95.7 |
-5.8 |
0.788 |
2 |
0 |
0 |
0.231 |
| 10 |
13 |
|
[PO4]A:401 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
14389 |
95.4 |
-5.7 |
0.831 |
2 |
0 |
0 |
0.229 |
| 11 |
14 |
|
[PO4]D:401 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
14 |
9 |
13384 |
93.3 |
-6.1 |
0.694 |
2 |
0 |
0 |
0.237 |
| 12 |
15 |
|
[PO4]C:401 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
9 |
13413 |
91.4 |
-6.1 |
0.730 |
3 |
0 |
0 |
0.249 |
| 13 |
16 |
|
[MG]A:403 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
14389 |
38.8 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.223 |
17 |
|
[MG]B:403 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
9 |
6 |
14057 |
38.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.223 |
18 |
|
[MG]C:403 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
14 |
9 |
13413 |
38.7 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.223 |
19 |
|
[MG]D:403 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
8 |
7 |
13384 |
37.4 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.223 |
| Average: |
38.4 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.223 |
| 14 |
20 |
|
[MG]D:402 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
13384 |
37.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.210 |
21 |
|
[MG]C:402 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
13413 |
37.6 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.210 |
22 |
|
[MG]B:402 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
14057 |
36.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.210 |
23 |
|
[MG]A:402 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
14389 |
36.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.210 |
| Average: |
37.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.210 |
| 15 |
24 |
|
C |
5 |
1 |
13413 |
◊ |
D |
-x+3/2,-y,z-1/2 |
2_654 |
4 |
1 |
13384 |
36.8 |
0.4 |
0.739 |
1 |
1 |
0 |
0.000 |
| 16 |
25 |
|
B |
3 |
1 |
14057 |
◊ |
D |
-x+3/2,-y,z-1/2 |
2_654 |
3 |
1 |
13384 |
33.6 |
-0.2 |
0.372 |
0 |
0 |
0 |
0.000 |
| 17 |
26 |
|
[MG]B:402 |
1 |
1 |
98 |
◊ |
[PO4]B:401 |
x,y,z |
1_555 |
4 |
1 |
187 |
27.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.142 |
27 |
|
[MG]C:403 |
1 |
1 |
98 |
◊ |
[PO4]C:401 |
x,y,z |
1_555 |
2 |
1 |
185 |
26.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.142 |
| Average: |
27.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.142 |
| 18 |
28 |
|
[MG]A:402 |
1 |
1 |
98 |
◊ |
[PO4]A:401 |
x,y,z |
1_555 |
3 |
1 |
187 |
27.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.142 |
29 |
|
[MG]D:402 |
1 |
1 |
98 |
◊ |
[PO4]D:401 |
x,y,z |
1_555 |
2 |
1 |
186 |
26.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.142 |
| Average: |
27.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.142 |
| 19 |
30 |
|
[MG]C:402 |
1 |
1 |
98 |
◊ |
[PO4]C:401 |
x,y,z |
1_555 |
3 |
1 |
185 |
26.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.132 |
31 |
|
[MG]A:403 |
1 |
1 |
98 |
◊ |
[PO4]A:401 |
x,y,z |
1_555 |
3 |
1 |
187 |
26.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.132 |
32 |
|
[MG]D:403 |
1 |
1 |
98 |
◊ |
[PO4]D:401 |
x,y,z |
1_555 |
2 |
1 |
186 |
25.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.132 |
| Average: |
26.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.132 |
| 20 |
33 |
|
[MG]B:403 |
1 |
1 |
98 |
◊ |
[PO4]B:401 |
x,y,z |
1_555 |
4 |
1 |
187 |
26.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.132 |
| 21 |
34 |
|
B |
2 |
1 |
14057 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
13384 |
18.2 |
-0.1 |
0.434 |
0 |
0 |
0 |
0.000 |
| 22 |
35 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
[MG]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.100 |
| 23 |
36 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
[MG]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.100 |
| 24 |
37 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
[MG]C:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.100 |
| 25 |
38 |
|
[MG]D:403 |
1 |
1 |
98 |
f |
[MG]D:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.100 |
| 26 |
39 |
|
C |
2 |
2 |
13413 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
2 |
1 |
14389 |
3.7 |
-0.1 |
0.494 |
0 |
0 |
0 |
0.000 |
| 27 |
40 |
|
C |
1 |
1 |
13413 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
14057 |
2.3 |
-0.1 |
0.422 |
0 |
0 |
0 |
0.000 |
|