| ## |
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 |
130 |
37 |
11042 |
◊ |
A |
x,y,z |
1_555 |
138 |
39 |
11022 |
1307.3 |
-10.3 |
0.081 |
11 |
3 |
0 |
0.112 |
| 2 |
2 |
|
B |
29 |
8 |
11042 |
x |
B |
-y,x-y+1,z-1/3 |
2_564 |
34 |
14 |
11042 |
284.3 |
-2.7 |
0.237 |
1 |
0 |
0 |
0.000 |
3 |
|
A |
34 |
13 |
11022 |
x |
A |
-y+1,x-y+1,z-1/3 |
2_664 |
31 |
8 |
11022 |
281.2 |
-3.2 |
0.190 |
1 |
0 |
0 |
0.000 |
| Average: |
282.8 |
-3.0 |
0.214 |
1 |
0 |
0 |
0.000 |
| 3 |
4 |
|
A |
20 |
5 |
11022 |
◊ |
B |
-y,x-y+1,z-1/3 |
2_564 |
20 |
5 |
11042 |
162.1 |
0.8 |
0.602 |
1 |
4 |
0 |
0.000 |
5 |
|
A |
20 |
6 |
11022 |
◊ |
B |
-y+1,x-y+1,z-1/3 |
2_664 |
23 |
6 |
11042 |
160.2 |
0.4 |
0.582 |
0 |
3 |
0 |
0.000 |
| Average: |
161.2 |
0.6 |
0.592 |
1 |
4 |
0 |
0.000 |
| 4 |
6 |
|
[PEG]B:306 |
7 |
1 |
255 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
11042 |
83.7 |
2.0 |
0.242 |
1 |
0 |
0 |
0.000 |
| 5 |
7 |
|
[SO4]A:503 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
20 |
12 |
11022 |
83.6 |
-12.1 |
0.810 |
5 |
0 |
0 |
0.103 |
| 6 |
8 |
|
[SO4]B:303 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
11042 |
82.7 |
-12.7 |
0.703 |
4 |
0 |
0 |
0.104 |
| 7 |
9 |
|
[SO4]A:507 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
11042 |
63.9 |
-8.9 |
0.694 |
2 |
0 |
0 |
0.071 |
| 8 |
10 |
|
[SO4]A:502 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
11022 |
62.3 |
-8.6 |
0.683 |
2 |
0 |
0 |
0.069 |
| 9 |
11 |
|
[SO4]A:502 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
11042 |
51.0 |
-4.9 |
0.961 |
3 |
0 |
0 |
0.045 |
| 10 |
12 |
|
[SO4]A:507 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
11022 |
49.0 |
-5.0 |
0.967 |
3 |
0 |
0 |
0.045 |
| 11 |
13 |
|
[MG]B:304 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
11042 |
37.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.038 |
| 12 |
14 |
|
[MG]B:305 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
11042 |
36.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.132 |
15 |
|
[MG]A:505 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
6 |
11022 |
32.6 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.132 |
16 |
|
[MG]A:504 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
9 |
11022 |
32.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.132 |
| Average: |
33.6 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.132 |
| 13 |
17 |
|
[SO4]A:503 |
4 |
1 |
186 |
f |
[SO4]A:502 |
x,y,z |
1_555 |
4 |
1 |
185 |
35.4 |
-7.8 |
0.998 |
0 |
0 |
0 |
0.056 |
| 14 |
18 |
|
[SO4]B:303 |
4 |
1 |
186 |
f |
[SO4]A:507 |
x,y,z |
1_555 |
4 |
1 |
185 |
32.2 |
-7.2 |
0.998 |
0 |
0 |
0 |
0.052 |
| 15 |
19 |
|
[MG]B:304 |
1 |
1 |
98 |
f |
[SO4]B:303 |
x,y,z |
1_555 |
4 |
1 |
186 |
26.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.040 |
| 16 |
20 |
|
[MG]A:504 |
1 |
1 |
98 |
f |
[SO4]A:503 |
x,y,z |
1_555 |
3 |
1 |
186 |
25.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.063 |
21 |
|
[MG]A:505 |
1 |
1 |
98 |
f |
[SO4]A:503 |
x,y,z |
1_555 |
3 |
1 |
186 |
16.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.063 |
| Average: |
21.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.063 |
| 17 |
22 |
|
[MG]B:305 |
1 |
1 |
98 |
f |
[SO4]B:303 |
x,y,z |
1_555 |
3 |
1 |
186 |
23.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.036 |
| 18 |
23 |
|
[MG]A:505 |
1 |
1 |
98 |
f |
[MG]A:504 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.026 |
| 19 |
24 |
|
[MG]B:304 |
1 |
1 |
98 |
f |
[SO4]A:507 |
x,y,z |
1_555 |
1 |
1 |
185 |
8.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.014 |
| 20 |
25 |
|
[MG]B:305 |
1 |
1 |
98 |
f |
[MG]B:304 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.006 |
|