| ## |
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 |
155 |
37 |
10963 |
◊ |
C |
-x+1,y,-z+1/2 |
3_655 |
155 |
37 |
10963 |
1548.3 |
-21.9 |
0.036 |
18 |
0 |
0 |
0.210 |
2 |
|
B |
153 |
36 |
10926 |
◊ |
A |
x,y,z |
1_555 |
157 |
37 |
11061 |
1524.9 |
-21.5 |
0.040 |
16 |
0 |
0 |
0.210 |
| Average: |
1536.6 |
-21.7 |
0.038 |
17 |
0 |
0 |
0.210 |
| 2 |
3 |
|
B |
152 |
40 |
10926 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
152 |
40 |
10926 |
1430.7 |
-13.6 |
0.264 |
12 |
8 |
0 |
0.146 |
4 |
|
C |
146 |
42 |
10963 |
◊ |
A |
x,y,z |
1_555 |
146 |
42 |
11061 |
1383.6 |
-16.4 |
0.120 |
8 |
0 |
0 |
0.146 |
| Average: |
1407.1 |
-15.0 |
0.192 |
10 |
4 |
0 |
0.146 |
| 3 |
5 |
|
A |
32 |
10 |
11061 |
◊ |
C |
x-1/2,-y+1/2,-z |
8_455 |
31 |
9 |
10963 |
273.8 |
-3.8 |
0.269 |
0 |
0 |
0 |
0.018 |
| 4 |
6 |
|
B |
19 |
6 |
10926 |
◊ |
A |
x,-y,-z |
4_555 |
20 |
7 |
11061 |
152.0 |
1.3 |
0.806 |
2 |
0 |
0 |
0.000 |
| 5 |
7 |
|
[SO4]B:302 |
5 |
1 |
186 |
f |
B |
-x+1,y,-z+1/2 |
3_655 |
20 |
10 |
10926 |
109.9 |
-17.1 |
0.732 |
7 |
0 |
0 |
0.285 |
| 6 |
8 |
|
[SO4]C:301 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
20 |
10 |
10963 |
108.4 |
-17.1 |
0.711 |
7 |
0 |
0 |
0.284 |
| 7 |
9 |
|
[SO4]A:504 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
11061 |
101.2 |
-16.4 |
0.736 |
8 |
0 |
0 |
0.146 |
| 8 |
10 |
|
[SO4]A:502 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
11061 |
89.2 |
-11.7 |
0.938 |
4 |
0 |
0 |
0.098 |
| 9 |
11 |
|
[SO4]C:303 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
10963 |
89.1 |
-11.5 |
0.952 |
3 |
0 |
0 |
0.181 |
| 10 |
12 |
|
[SO4]C:304 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
10963 |
88.0 |
-12.4 |
0.830 |
4 |
0 |
0 |
0.199 |
| 11 |
13 |
|
[SO4]B:304 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
10926 |
87.9 |
-12.3 |
0.890 |
4 |
0 |
0 |
0.198 |
| 12 |
14 |
|
[SO4]B:301 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
10926 |
87.4 |
-12.4 |
0.832 |
4 |
0 |
0 |
0.200 |
| 13 |
15 |
|
[SO4]A:503 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
11061 |
86.6 |
-12.1 |
0.832 |
4 |
0 |
0 |
0.101 |
| 14 |
16 |
|
[SO4]B:303 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
10926 |
71.8 |
-7.7 |
0.981 |
3 |
0 |
0 |
0.127 |
| 15 |
17 |
|
B |
8 |
4 |
10926 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
10 |
5 |
11061 |
69.1 |
-0.8 |
0.445 |
0 |
0 |
0 |
0.010 |
18 |
|
C |
8 |
4 |
10963 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
3 |
2 |
11061 |
43.3 |
-0.8 |
0.243 |
0 |
0 |
0 |
0.010 |
19 |
|
C |
2 |
1 |
10963 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
10926 |
34.8 |
-0.8 |
0.188 |
0 |
0 |
0 |
0.010 |
| Average: |
49.0 |
-0.8 |
0.292 |
0 |
0 |
0 |
0.010 |
| 16 |
20 |
|
[SO4]C:302 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
10963 |
63.9 |
-8.1 |
0.905 |
2 |
0 |
0 |
0.126 |
| 17 |
21 |
|
[MG]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
11061 |
45.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.039 |
| 18 |
22 |
|
C |
3 |
3 |
10963 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
5 |
2 |
11061 |
40.6 |
1.1 |
0.889 |
0 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[SO4]C:301 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11061 |
38.2 |
-3.1 |
0.976 |
2 |
0 |
0 |
0.029 |
| 20 |
24 |
|
[SO4]A:504 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
10963 |
37.5 |
-3.3 |
0.985 |
2 |
0 |
0 |
0.031 |
| 21 |
25 |
|
[SO4]B:302 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
10926 |
34.9 |
-3.0 |
0.987 |
1 |
0 |
0 |
0.048 |
| 22 |
26 |
|
A |
3 |
1 |
11061 |
◊ |
[SO4]C:304 |
x-1/2,-y+1/2,-z |
8_455 |
4 |
1 |
185 |
28.6 |
-2.8 |
0.915 |
0 |
0 |
0 |
0.013 |
| 23 |
27 |
|
[SO4]A:503 |
4 |
1 |
185 |
◊ |
C |
x-1/2,-y+1/2,-z |
8_455 |
3 |
1 |
10963 |
23.7 |
-2.2 |
0.904 |
0 |
0 |
0 |
0.010 |
| 24 |
28 |
|
[SO4]B:303 |
1 |
1 |
186 |
◊ |
[SO4]B:303 |
x,-y,-z |
4_555 |
1 |
1 |
186 |
0.1 |
-0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|