## |
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 |
141 |
36 |
11083 |
◊ |
A |
x,y,z |
1_555 |
142 |
38 |
11163 |
1310.1 |
-10.5 |
0.082 |
15 |
2 |
0 |
0.137 |
2 |
2 |
|
B |
36 |
10 |
11083 |
x |
B |
-y-1,x-y-1,z-1/3 |
2_444 |
37 |
13 |
11083 |
333.8 |
-2.5 |
0.241 |
3 |
0 |
0 |
0.000 |
3 |
|
A |
37 |
14 |
11163 |
x |
A |
-y,x-y-1,z-1/3 |
2_544 |
34 |
9 |
11163 |
323.5 |
-2.5 |
0.237 |
3 |
0 |
0 |
0.000 |
Average: |
328.6 |
-2.5 |
0.239 |
3 |
0 |
0 |
0.000 |
3 |
4 |
|
A |
26 |
6 |
11163 |
◊ |
B |
-y-1,x-y-1,z-1/3 |
2_444 |
27 |
6 |
11083 |
218.0 |
0.6 |
0.572 |
3 |
2 |
0 |
0.000 |
5 |
|
A |
27 |
7 |
11163 |
◊ |
B |
-y,x-y-1,z-1/3 |
2_544 |
26 |
7 |
11083 |
215.3 |
-0.1 |
0.468 |
2 |
1 |
0 |
0.000 |
Average: |
216.7 |
0.3 |
0.520 |
3 |
2 |
0 |
0.000 |
4 |
6 |
|
[INS]B:306 |
12 |
1 |
295 |
f |
B |
x,y,z |
1_555 |
31 |
13 |
11083 |
147.9 |
0.2 |
0.434 |
7 |
0 |
0 |
0.046 |
7 |
|
[INS]A:308 |
12 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
29 |
14 |
11163 |
147.9 |
0.2 |
0.426 |
7 |
0 |
0 |
0.046 |
Average: |
147.9 |
0.2 |
0.430 |
7 |
0 |
0 |
0.046 |
5 |
8 |
|
[SO4]A:303 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
11163 |
75.2 |
-10.8 |
0.777 |
3 |
0 |
0 |
0.095 |
6 |
9 |
|
[SO4]B:301 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
11083 |
74.8 |
-10.6 |
0.787 |
3 |
0 |
0 |
0.094 |
7 |
10 |
|
[SO4]A:301 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
11163 |
55.5 |
-7.7 |
0.603 |
2 |
0 |
0 |
0.067 |
8 |
11 |
|
[SO4]A:302 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
11083 |
55.2 |
-7.7 |
0.617 |
2 |
0 |
0 |
0.067 |
9 |
12 |
|
[SO4]A:302 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
11163 |
47.6 |
-5.1 |
0.911 |
3 |
0 |
0 |
0.050 |
10 |
13 |
|
[SO4]A:301 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
11083 |
47.4 |
-4.9 |
0.952 |
3 |
0 |
0 |
0.049 |
11 |
14 |
|
[INS]B:306 |
6 |
1 |
295 |
cf |
[SO4]B:301 |
x,y,z |
1_555 |
4 |
1 |
187 |
42.4 |
-3.7 |
0.719 |
0 |
0 |
0 |
0.029 |
12 |
15 |
|
[INS]A:308 |
6 |
1 |
295 |
f |
[SO4]A:303 |
x,y,z |
1_555 |
4 |
1 |
187 |
41.0 |
-3.5 |
0.729 |
0 |
0 |
0 |
0.027 |
13 |
16 |
|
[MG]A:304 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
9 |
11163 |
39.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.098 |
17 |
|
[MG]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
9 |
11083 |
38.5 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.098 |
Average: |
38.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.098 |
14 |
18 |
|
[SO4]A:303 |
4 |
1 |
187 |
f |
[SO4]A:301 |
x,y,z |
1_555 |
4 |
1 |
184 |
32.3 |
-7.2 |
0.998 |
0 |
0 |
0 |
0.057 |
15 |
19 |
|
[SO4]B:301 |
4 |
1 |
187 |
f |
[SO4]A:302 |
x,y,z |
1_555 |
4 |
1 |
186 |
31.8 |
-7.1 |
0.998 |
0 |
0 |
0 |
0.056 |
16 |
20 |
|
[INS]B:306 |
6 |
1 |
295 |
f |
[SO4]A:302 |
x,y,z |
1_555 |
4 |
1 |
186 |
29.8 |
-2.8 |
0.729 |
0 |
0 |
0 |
0.022 |
17 |
21 |
|
[INS]A:308 |
6 |
1 |
295 |
f |
[SO4]A:301 |
x,y,z |
1_555 |
4 |
1 |
184 |
29.4 |
-2.6 |
0.729 |
0 |
0 |
0 |
0.021 |
18 |
22 |
|
[MG]B:302 |
1 |
1 |
98 |
f |
[SO4]B:301 |
x,y,z |
1_555 |
3 |
1 |
187 |
24.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.079 |
23 |
|
[MG]A:304 |
1 |
1 |
98 |
f |
[SO4]A:303 |
x,y,z |
1_555 |
3 |
1 |
187 |
24.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
24.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.079 |
19 |
24 |
|
[INS]A:308 |
3 |
1 |
295 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
11083 |
18.7 |
0.2 |
0.512 |
0 |
0 |
0 |
0.000 |
25 |
|
[INS]B:306 |
3 |
1 |
295 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11163 |
18.1 |
0.2 |
0.510 |
0 |
0 |
0 |
0.000 |
Average: |
18.4 |
0.2 |
0.511 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
[INS]B:306 |
1 |
1 |
295 |
f |
[MG]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
27 |
|
[INS]A:308 |
1 |
1 |
295 |
f |
[MG]A:304 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
8.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.009 |
|