## |
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 |
154 |
43 |
11289 |
◊ |
A |
x,y,z |
1_555 |
151 |
42 |
11204 |
1482.7 |
-7.1 |
0.217 |
21 |
6 |
0 |
0.095 |
2 |
2 |
|
B |
31 |
8 |
11289 |
x |
B |
-y,x-y,z-1/3 |
2_554 |
36 |
13 |
11289 |
291.6 |
-3.5 |
0.180 |
2 |
0 |
0 |
0.000 |
3 |
|
A |
34 |
12 |
11204 |
x |
A |
-y,x-y-1,z-1/3 |
2_544 |
32 |
9 |
11204 |
288.2 |
-3.6 |
0.173 |
2 |
0 |
0 |
0.000 |
Average: |
289.9 |
-3.5 |
0.176 |
2 |
0 |
0 |
0.000 |
3 |
4 |
|
A |
26 |
5 |
11204 |
◊ |
B |
-y,x-y,z-1/3 |
2_554 |
27 |
6 |
11289 |
223.0 |
1.4 |
0.669 |
4 |
3 |
0 |
0.000 |
5 |
|
A |
26 |
7 |
11204 |
◊ |
B |
-y,x-y-1,z-1/3 |
2_544 |
25 |
5 |
11289 |
202.2 |
0.6 |
0.602 |
3 |
3 |
0 |
0.000 |
Average: |
212.6 |
1.0 |
0.635 |
4 |
3 |
0 |
0.000 |
4 |
6 |
|
[SO4]B:307 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
11289 |
106.9 |
-14.8 |
0.737 |
0 |
0 |
0 |
0.082 |
5 |
7 |
|
[SO4]A:504 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
25 |
12 |
11204 |
78.8 |
-11.2 |
0.720 |
4 |
0 |
0 |
0.072 |
6 |
8 |
|
[SO4]B:306 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
11289 |
76.5 |
-11.5 |
0.683 |
4 |
0 |
0 |
0.073 |
7 |
9 |
|
[SO4]A:503 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
21 |
12 |
11204 |
71.0 |
-10.4 |
0.677 |
7 |
0 |
0 |
0.075 |
8 |
10 |
|
[SO4]B:305 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
11289 |
69.6 |
-10.7 |
0.650 |
2 |
0 |
0 |
0.064 |
9 |
11 |
|
[MG]B:308 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
5 |
11289 |
38.3 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.082 |
12 |
|
[MG]A:507 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
11204 |
37.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.082 |
Average: |
38.0 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.082 |
10 |
13 |
|
[MG]A:506 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
8 |
11204 |
32.2 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.033 |
11 |
14 |
|
[SO4]A:503 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
11289 |
30.6 |
-2.5 |
0.862 |
1 |
0 |
0 |
0.016 |
12 |
15 |
|
[MG]A:505 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
7 |
11204 |
30.3 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.092 |
16 |
|
[MG]B:309 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
11289 |
29.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.092 |
17 |
|
[MG]B:310 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
11289 |
29.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.092 |
Average: |
29.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.092 |
13 |
18 |
|
[SO4]A:504 |
4 |
1 |
184 |
f |
[SO4]A:503 |
x,y,z |
1_555 |
4 |
1 |
184 |
29.5 |
-6.6 |
0.998 |
0 |
0 |
0 |
0.036 |
14 |
19 |
|
[SO4]B:306 |
4 |
1 |
186 |
f |
[SO4]B:305 |
x,y,z |
1_555 |
4 |
1 |
184 |
28.8 |
-6.5 |
0.998 |
0 |
0 |
0 |
0.036 |
15 |
20 |
|
[SO4]B:305 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
11204 |
28.6 |
-2.2 |
0.876 |
1 |
0 |
0 |
0.015 |
16 |
21 |
|
[SO4]A:504 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
11289 |
23.0 |
-1.9 |
0.845 |
0 |
0 |
0 |
0.010 |
17 |
22 |
|
[MG]B:310 |
1 |
1 |
98 |
f |
[SO4]B:305 |
x,y,z |
1_555 |
4 |
1 |
184 |
22.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.025 |
18 |
23 |
|
[MG]A:507 |
1 |
1 |
98 |
f |
[SO4]A:504 |
x,y,z |
1_555 |
3 |
1 |
184 |
20.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.043 |
24 |
|
[MG]B:309 |
1 |
1 |
98 |
f |
[SO4]B:306 |
x,y,z |
1_555 |
1 |
1 |
186 |
14.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.043 |
Average: |
17.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.043 |
19 |
25 |
|
[MG]A:506 |
1 |
1 |
98 |
f |
[SO4]A:503 |
x,y,z |
1_555 |
3 |
1 |
184 |
20.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.024 |
20 |
26 |
|
[MG]B:308 |
1 |
1 |
98 |
f |
[SO4]B:306 |
x,y,z |
1_555 |
3 |
1 |
186 |
20.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.024 |
21 |
27 |
|
[MG]A:505 |
1 |
1 |
98 |
f |
[SO4]A:503 |
x,y,z |
1_555 |
3 |
1 |
184 |
18.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.036 |
28 |
|
[MG]A:505 |
1 |
1 |
98 |
f |
[SO4]A:504 |
x,y,z |
1_555 |
1 |
1 |
184 |
11.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
15.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.036 |
22 |
29 |
|
[MG]B:309 |
1 |
1 |
98 |
f |
[SO4]B:305 |
x,y,z |
1_555 |
1 |
1 |
184 |
17.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.022 |
23 |
30 |
|
[SO4]B:306 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11204 |
15.7 |
-1.2 |
0.893 |
0 |
0 |
0 |
0.007 |
24 |
31 |
|
[MG]A:506 |
1 |
1 |
98 |
f |
[MG]A:505 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.013 |
25 |
32 |
|
[MG]B:310 |
1 |
1 |
98 |
f |
[MG]B:309 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.013 |
26 |
33 |
|
[MG]B:310 |
1 |
1 |
98 |
f |
[SO4]B:306 |
x,y,z |
1_555 |
2 |
1 |
186 |
6.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.007 |
27 |
34 |
|
[MG]A:506 |
1 |
1 |
98 |
f |
[SO4]A:504 |
x,y,z |
1_555 |
1 |
1 |
184 |
3.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.004 |
|