## |
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 |
114 |
29 |
12058 |
◊ |
B |
-x+1,y,-z |
2_655 |
114 |
29 |
12058 |
1026.3 |
-14.5 |
0.061 |
20 |
4 |
0 |
0.590 |
2 |
2 |
|
A |
108 |
28 |
11785 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
105 |
28 |
11785 |
895.6 |
-11.5 |
0.090 |
18 |
4 |
0 |
0.505 |
3 |
3 |
|
B |
54 |
18 |
12058 |
x |
B |
x-1/2,y-1/2,z |
3_445 |
50 |
16 |
12058 |
503.1 |
-5.3 |
0.229 |
3 |
0 |
0 |
0.000 |
4 |
|
A |
53 |
18 |
11785 |
x |
A |
x-1/2,y+1/2,z |
3_455 |
51 |
17 |
11785 |
483.5 |
-4.0 |
0.308 |
3 |
0 |
0 |
0.000 |
Average: |
493.3 |
-4.7 |
0.268 |
3 |
0 |
0 |
0.000 |
4 |
5 |
|
B |
31 |
13 |
12058 |
◊ |
A |
x,y,z |
1_555 |
37 |
14 |
11785 |
330.7 |
-2.9 |
0.322 |
0 |
0 |
0 |
0.000 |
5 |
6 |
|
[PGE]A:1002 |
10 |
1 |
337 |
f |
A |
x,y,z |
1_555 |
22 |
6 |
11785 |
144.5 |
3.0 |
0.186 |
2 |
0 |
0 |
0.000 |
6 |
7 |
|
[PGE]B:1001 |
10 |
1 |
334 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
12058 |
144.5 |
3.8 |
0.227 |
2 |
0 |
0 |
0.000 |
7 |
8 |
|
[EDO]A:901 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
11785 |
89.2 |
2.2 |
0.418 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
[EDO]B:904 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
12058 |
87.1 |
0.9 |
0.124 |
1 |
0 |
0 |
0.000 |
9 |
10 |
|
[EDO]A:902 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
11785 |
75.4 |
1.9 |
0.211 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
[EDO]B:903 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
12058 |
75.2 |
1.9 |
0.214 |
0 |
0 |
0 |
0.000 |
11 |
12 |
|
B |
11 |
5 |
12058 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
4 |
1 |
11785 |
52.6 |
0.5 |
0.711 |
0 |
0 |
0 |
0.000 |
12 |
13 |
|
A |
5 |
1 |
11785 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
8 |
2 |
12058 |
52.1 |
-0.3 |
0.472 |
0 |
0 |
0 |
0.000 |
13 |
14 |
|
[EDO]A:901 |
4 |
1 |
186 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
8 |
4 |
11785 |
46.2 |
0.5 |
0.539 |
0 |
0 |
0 |
0.000 |
14 |
15 |
|
[EDO]B:904 |
3 |
1 |
186 |
◊ |
B |
-x+1,y,-z |
2_655 |
7 |
3 |
12058 |
44.4 |
0.9 |
0.656 |
1 |
0 |
0 |
0.000 |
15 |
16 |
|
[CA]A:301 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
11785 |
41.1 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.576 |
17 |
|
[CA]B:301 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
12058 |
37.7 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.576 |
Average: |
39.4 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.576 |
16 |
18 |
|
[EDO]A:901 |
4 |
1 |
186 |
f |
[EDO]A:901 |
-x+1,y,-z+1 |
2_656 |
4 |
1 |
186 |
35.4 |
1.2 |
1.000 |
2 |
0 |
0 |
0.000 |
17 |
19 |
|
[EDO]B:904 |
2 |
1 |
186 |
◊ |
[EDO]B:904 |
-x+1,y,-z |
2_655 |
2 |
1 |
186 |
26.8 |
1.1 |
1.000 |
1 |
0 |
0 |
0.000 |
18 |
20 |
|
B |
2 |
1 |
12058 |
f |
[EDO]B:903 |
x-1/2,y-1/2,z |
3_445 |
2 |
1 |
183 |
23.9 |
-0.0 |
0.448 |
0 |
0 |
0 |
0.004 |
21 |
|
A |
1 |
1 |
11785 |
f |
[EDO]A:902 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
185 |
23.7 |
-0.1 |
0.312 |
0 |
0 |
0 |
0.004 |
Average: |
23.8 |
-0.1 |
0.380 |
0 |
0 |
0 |
0.004 |
19 |
22 |
|
[PGE]B:1001 |
2 |
1 |
334 |
f |
B |
-x+1,y,-z |
2_655 |
3 |
1 |
12058 |
13.2 |
0.5 |
0.371 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[CA]B:301 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11785 |
9.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
[CA]A:302 |
1 |
1 |
85 |
f |
[CA]A:301 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.146 |
22 |
25 |
|
[CA]B:302 |
1 |
1 |
85 |
f |
[CA]B:301 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.140 |
23 |
26 |
|
B |
1 |
1 |
12058 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
11785 |
2.2 |
-0.0 |
0.573 |
0 |
0 |
0 |
0.000 |
|