## |
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 |
108 |
30 |
8409 |
◊ |
A |
x,y,z |
1_555 |
115 |
29 |
8533 |
1091.7 |
-19.6 |
0.065 |
10 |
4 |
0 |
0.211 |
2 |
2 |
|
B |
68 |
19 |
8409 |
x |
B |
-z,x,-y |
8_555 |
63 |
18 |
8409 |
571.2 |
-9.6 |
0.187 |
5 |
0 |
0 |
0.279 |
3 |
|
A |
57 |
16 |
8533 |
x |
A |
-z,x,-y |
8_555 |
68 |
18 |
8533 |
553.8 |
-10.0 |
0.157 |
8 |
0 |
0 |
0.279 |
Average: |
562.5 |
-9.8 |
0.172 |
7 |
0 |
0 |
0.279 |
3 |
4 |
|
A |
58 |
18 |
8533 |
◊ |
B |
z-1/2,-x-1/2,-y+1/2 |
18_445 |
46 |
12 |
8409 |
453.6 |
-5.7 |
0.326 |
4 |
0 |
0 |
0.000 |
4 |
5 |
|
A |
47 |
14 |
8533 |
◊ |
B |
z-1/2,x-1/2,y+1/2 |
17_445 |
48 |
17 |
8409 |
418.8 |
-2.2 |
0.692 |
8 |
2 |
0 |
0.000 |
5 |
6 |
|
B |
24 |
5 |
8409 |
◊ |
A |
-z,x,-y |
8_555 |
23 |
6 |
8533 |
221.3 |
-5.1 |
0.148 |
0 |
0 |
0 |
0.032 |
6 |
7 |
|
B |
25 |
8 |
8409 |
◊ |
A |
-z+1/2,-x-1/2,y+1/2 |
19_545 |
21 |
6 |
8533 |
179.5 |
0.4 |
0.796 |
3 |
0 |
0 |
0.000 |
7 |
8 |
|
[PEG]A:205 |
7 |
1 |
257 |
f |
A |
x,y,z |
1_555 |
36 |
14 |
8533 |
175.1 |
6.2 |
0.725 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
[PEG]B:205 |
7 |
1 |
252 |
f |
B |
x,y,z |
1_555 |
32 |
13 |
8409 |
162.0 |
4.1 |
0.570 |
1 |
0 |
0 |
0.000 |
9 |
10 |
|
[POP]B:206 |
9 |
1 |
263 |
f |
B |
x,y,z |
1_555 |
25 |
13 |
8409 |
157.9 |
1.1 |
0.707 |
11 |
0 |
0 |
0.069 |
10 |
11 |
|
[CWM]A:201 |
11 |
1 |
301 |
◊ |
A |
x,y,z |
1_555 |
23 |
10 |
8533 |
151.9 |
-0.3 |
0.405 |
1 |
0 |
0 |
0.016 |
11 |
12 |
|
[CWM]B:201 |
11 |
1 |
299 |
f |
B |
x,y,z |
1_555 |
17 |
11 |
8409 |
139.0 |
-0.6 |
0.372 |
2 |
0 |
0 |
0.027 |
12 |
13 |
|
B |
14 |
4 |
8409 |
◊ |
[CWM]B:201 |
-z,x,-y |
8_555 |
10 |
1 |
299 |
96.9 |
1.2 |
0.514 |
0 |
0 |
0 |
0.000 |
14 |
|
[CWM]A:201 |
10 |
1 |
301 |
◊ |
A |
-z,x,-y |
8_555 |
14 |
4 |
8533 |
95.0 |
1.1 |
0.501 |
0 |
0 |
0 |
0.000 |
Average: |
96.0 |
1.1 |
0.507 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
[PEG]A:204 |
7 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
8533 |
95.3 |
1.7 |
0.241 |
3 |
0 |
0 |
0.000 |
14 |
16 |
|
[SO4]A:203 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
8533 |
94.1 |
-13.9 |
0.836 |
3 |
0 |
0 |
0.314 |
15 |
17 |
|
[SO4]A:202 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
8533 |
81.0 |
-10.8 |
0.908 |
3 |
0 |
0 |
0.248 |
16 |
18 |
|
[SO4]B:203 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
8409 |
79.4 |
-10.4 |
0.910 |
1 |
0 |
0 |
0.198 |
17 |
19 |
|
[SO4]B:204 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
8409 |
75.2 |
-10.1 |
0.900 |
2 |
0 |
0 |
0.201 |
18 |
20 |
|
[SO4]B:202 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
8409 |
70.0 |
-10.2 |
0.566 |
1 |
0 |
0 |
0.194 |
19 |
21 |
|
B |
9 |
3 |
8409 |
◊ |
[SO4]B:202 |
-z,x,-y |
8_555 |
5 |
1 |
184 |
66.8 |
-8.7 |
0.952 |
2 |
0 |
0 |
0.175 |
20 |
22 |
|
[SO4]B:204 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
8533 |
65.6 |
-9.3 |
0.822 |
2 |
0 |
0 |
0.087 |
21 |
23 |
|
[SO4]A:202 |
5 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
8409 |
64.3 |
-9.3 |
0.812 |
1 |
0 |
0 |
0.083 |
22 |
24 |
|
A |
5 |
3 |
8533 |
f |
[CL]A:206 |
-z,x,-y |
8_555 |
1 |
1 |
125 |
52.9 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.148 |
23 |
25 |
|
[POP]B:206 |
7 |
1 |
263 |
f |
[PEG]B:205 |
x,y,z |
1_555 |
4 |
1 |
252 |
47.1 |
1.5 |
0.349 |
1 |
0 |
0 |
0.000 |
24 |
26 |
|
[SO4]B:203 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
8533 |
46.7 |
-5.4 |
0.884 |
1 |
0 |
0 |
0.049 |
25 |
27 |
|
A |
2 |
1 |
8533 |
◊ |
B |
-x-1/2,y-1/2,-z+1/2 |
15_445 |
6 |
2 |
8409 |
39.8 |
0.8 |
0.859 |
2 |
0 |
0 |
0.000 |
26 |
28 |
|
[CL]A:206 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8533 |
33.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.066 |
27 |
29 |
|
[PEG]A:205 |
5 |
1 |
257 |
f |
[SO4]A:203 |
x,y,z |
1_555 |
4 |
1 |
184 |
31.5 |
-3.4 |
0.248 |
1 |
0 |
0 |
0.079 |
28 |
30 |
|
A |
2 |
2 |
8533 |
◊ |
B |
-z,x,-y |
8_555 |
2 |
2 |
8409 |
16.8 |
0.1 |
0.731 |
0 |
0 |
0 |
0.000 |
29 |
31 |
|
[SO4]B:202 |
2 |
1 |
184 |
f |
[CWM]B:201 |
x,y,z |
1_555 |
2 |
1 |
299 |
11.1 |
-1.5 |
0.519 |
0 |
0 |
0 |
0.028 |
30 |
32 |
|
[CWM]A:201 |
1 |
1 |
301 |
◊ |
[CL]A:206 |
-z,x,-y |
8_555 |
1 |
1 |
125 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|