## |
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 |
164 |
38 |
9041 |
◊ |
A |
x,y,z |
1_555 |
162 |
39 |
9546 |
1515.5 |
-10.0 |
0.599 |
20 |
24 |
0 |
0.281 |
2 |
2 |
|
B |
115 |
27 |
9041 |
◊ |
B |
x,x-y+1,-z-1/6 |
12_564 |
115 |
27 |
9041 |
1034.7 |
-0.6 |
0.912 |
28 |
0 |
0 |
0.209 |
3 |
|
A |
111 |
27 |
9546 |
◊ |
A |
x,x-y+1,-z-1/6 |
12_564 |
109 |
27 |
9546 |
1026.0 |
-1.9 |
0.797 |
30 |
0 |
0 |
0.209 |
Average: |
1030.3 |
-1.2 |
0.855 |
29 |
0 |
0 |
0.209 |
3 |
4 |
|
B |
66 |
20 |
9041 |
◊ |
A |
x-y,-y+1,-z |
8_565 |
75 |
22 |
9546 |
651.9 |
-7.4 |
0.349 |
8 |
0 |
0 |
0.142 |
4 |
5 |
|
[PG4]B:305 |
13 |
1 |
403 |
◊ |
B |
x,y,z |
1_555 |
30 |
7 |
9041 |
177.6 |
5.8 |
0.512 |
1 |
0 |
0 |
0.000 |
5 |
6 |
|
[PG4]B:305 |
13 |
1 |
403 |
f |
A |
x,y,z |
1_555 |
29 |
7 |
9546 |
177.3 |
4.3 |
0.392 |
3 |
0 |
0 |
0.000 |
6 |
7 |
|
[BA]B:303 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
9041 |
119.2 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.219 |
8 |
|
[BA]A:302 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
9546 |
114.8 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.219 |
Average: |
117.0 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.219 |
7 |
9 |
|
B |
10 |
4 |
9041 |
◊ |
A |
x,x-y+1,-z-1/6 |
12_564 |
12 |
5 |
9546 |
107.4 |
-0.9 |
0.512 |
0 |
0 |
0 |
0.009 |
8 |
10 |
|
[PEG]B:301 |
6 |
1 |
258 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
9546 |
101.0 |
1.1 |
0.243 |
2 |
0 |
0 |
0.000 |
9 |
11 |
|
[PEG]A:304 |
6 |
1 |
254 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
9041 |
97.6 |
1.8 |
0.286 |
2 |
0 |
0 |
0.000 |
10 |
12 |
|
[PO4]A:303 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
9546 |
74.5 |
-4.8 |
0.766 |
4 |
0 |
0 |
0.181 |
11 |
13 |
|
[PO4]B:304 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
9041 |
72.7 |
-4.7 |
0.761 |
5 |
0 |
0 |
0.089 |
12 |
14 |
|
[PEG]A:304 |
6 |
1 |
254 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
9546 |
63.4 |
1.6 |
0.315 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
[PEG]B:301 |
6 |
1 |
258 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
9041 |
61.0 |
0.7 |
0.221 |
2 |
0 |
0 |
0.003 |
14 |
16 |
|
[CL]B:307 |
1 |
1 |
125 |
f |
A |
x-y,-y+1,-z |
8_565 |
8 |
4 |
9546 |
59.0 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.169 |
15 |
17 |
|
[CL]B:307 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
9041 |
44.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.075 |
16 |
18 |
|
[CL]B:306 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
9041 |
43.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.070 |
17 |
19 |
|
[PEG]B:301 |
4 |
1 |
258 |
◊ |
B |
x,x-y+1,-z-1/6 |
12_564 |
3 |
1 |
9041 |
40.3 |
1.1 |
0.309 |
1 |
0 |
0 |
0.000 |
18 |
20 |
|
[PEG]A:304 |
3 |
1 |
254 |
◊ |
A |
x,x-y+1,-z-1/6 |
12_564 |
2 |
1 |
9546 |
37.2 |
1.5 |
0.483 |
2 |
0 |
0 |
0.000 |
19 |
21 |
|
[PO4]A:303 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
9041 |
35.6 |
-0.7 |
0.976 |
3 |
0 |
0 |
0.026 |
20 |
22 |
|
[PO4]B:304 |
3 |
1 |
187 |
f |
[BA]B:303 |
x,y,z |
1_555 |
1 |
1 |
216 |
34.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.044 |
21 |
23 |
|
[PO4]B:304 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
9546 |
34.7 |
-0.7 |
0.971 |
3 |
0 |
0 |
0.026 |
22 |
24 |
|
[MG]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
9546 |
33.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.092 |
25 |
|
[MG]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
9041 |
31.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.092 |
Average: |
32.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.092 |
23 |
26 |
|
[PO4]A:303 |
3 |
1 |
187 |
f |
[BA]A:302 |
x,y,z |
1_555 |
1 |
1 |
216 |
31.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.085 |
24 |
27 |
|
[PO4]A:303 |
4 |
1 |
187 |
f |
[MG]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.127 |
25 |
28 |
|
[PO4]B:304 |
3 |
1 |
187 |
f |
[MG]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.049 |
26 |
29 |
|
[CL]B:306 |
1 |
1 |
125 |
◊ |
A |
x-y,-y+1,-z |
8_565 |
3 |
2 |
9546 |
7.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.011 |
27 |
30 |
|
[PEG]A:304 |
1 |
1 |
254 |
f |
[PO4]B:304 |
x,y,z |
1_555 |
1 |
1 |
187 |
6.4 |
-0.5 |
0.338 |
0 |
0 |
0 |
0.006 |
28 |
31 |
|
[MG]A:301 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
9041 |
5.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.008 |
32 |
|
[MG]B:302 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9546 |
1.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
3.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.008 |
29 |
33 |
|
[PEG]B:301 |
1 |
1 |
258 |
◊ |
[PO4]A:303 |
x,y,z |
1_555 |
1 |
1 |
187 |
2.5 |
-0.0 |
0.338 |
0 |
0 |
0 |
0.000 |
|