| ## |
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 |
170 |
45 |
11756 |
◊ |
A |
x,y,z |
1_555 |
171 |
45 |
11762 |
1636.1 |
-16.7 |
0.252 |
22 |
11 |
0 |
1.000 |
| 2 |
2 |
|
A |
168 |
44 |
11762 |
◊ |
A |
-x,y,-z |
2_555 |
167 |
43 |
11762 |
1586.0 |
-16.9 |
0.228 |
18 |
12 |
0 |
1.000 |
3 |
|
B |
167 |
43 |
11756 |
◊ |
B |
-x,y,-z |
2_555 |
168 |
43 |
11756 |
1585.0 |
-16.9 |
0.211 |
18 |
12 |
0 |
1.000 |
| Average: |
1585.5 |
-16.9 |
0.219 |
18 |
12 |
0 |
1.000 |
| 3 |
4 |
|
A |
39 |
14 |
11762 |
x |
A |
x-1/2,-y+1,-z+1/2 |
4_465 |
33 |
11 |
11762 |
341.1 |
2.6 |
0.900 |
6 |
10 |
0 |
0.000 |
| 4 |
5 |
|
B |
28 |
11 |
11756 |
x |
B |
x-1/2,-y,-z+1/2 |
4_455 |
41 |
12 |
11756 |
320.0 |
2.6 |
0.882 |
6 |
10 |
0 |
0.000 |
| 5 |
6 |
|
B |
29 |
8 |
11756 |
◊ |
A |
-x,y,-z |
2_555 |
32 |
9 |
11762 |
235.3 |
-1.0 |
0.661 |
2 |
0 |
0 |
0.236 |
| 6 |
7 |
|
[PG4]A:302 |
13 |
1 |
396 |
◊ |
A |
x,y,z |
1_555 |
25 |
8 |
11762 |
213.1 |
3.9 |
0.377 |
0 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[PGE]B:306 |
10 |
1 |
316 |
◊ |
B |
x,y,z |
1_555 |
33 |
11 |
11756 |
181.1 |
5.9 |
0.501 |
2 |
0 |
0 |
0.000 |
| 8 |
9 |
|
A |
13 |
5 |
11762 |
◊ |
A |
-x+1,y,-z |
2_655 |
13 |
5 |
11762 |
139.6 |
3.6 |
0.964 |
6 |
8 |
0 |
0.000 |
| 9 |
10 |
|
B |
14 |
4 |
11756 |
◊ |
A |
x,y-1,z |
1_545 |
13 |
3 |
11762 |
134.1 |
-4.2 |
0.059 |
0 |
0 |
0 |
0.438 |
| 10 |
11 |
|
[PEG]B:303 |
7 |
1 |
252 |
f |
B |
x,y,z |
1_555 |
27 |
12 |
11756 |
128.7 |
1.6 |
0.267 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[PEG]A:301 |
7 |
1 |
254 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
11762 |
127.6 |
2.8 |
0.348 |
1 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[PEG]B:302 |
7 |
1 |
252 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
11756 |
125.2 |
3.5 |
0.470 |
1 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[PEG]B:301 |
7 |
1 |
257 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
11756 |
124.8 |
2.4 |
0.324 |
1 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[EDO]A:303 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
11762 |
110.1 |
2.4 |
0.436 |
0 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[EDO]A:304 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
11762 |
104.4 |
3.4 |
0.506 |
1 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[EDO]B:308 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
11756 |
100.9 |
4.0 |
0.744 |
1 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[EDO]B:304 |
4 |
1 |
185 |
◊ |
B |
-x,y,-z |
2_555 |
9 |
4 |
11756 |
76.5 |
2.9 |
0.332 |
1 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[EDO]B:305 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
11756 |
74.2 |
1.8 |
0.794 |
1 |
0 |
0 |
0.000 |
| 19 |
20 |
|
[CL]A:307 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
11762 |
72.3 |
-11.6 |
0.000 |
0 |
0 |
0 |
1.000 |
| 20 |
21 |
|
B |
8 |
3 |
11756 |
◊ |
B |
-x-1,y,-z |
2_455 |
8 |
3 |
11756 |
70.3 |
2.3 |
0.934 |
2 |
4 |
0 |
0.000 |
| 21 |
22 |
|
[EDO]B:304 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
11756 |
64.4 |
1.3 |
0.808 |
3 |
0 |
0 |
0.003 |
| 22 |
23 |
|
[EDO]B:307 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
11756 |
59.7 |
1.0 |
0.820 |
1 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[EDO]B:309 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
11756 |
59.6 |
1.3 |
0.754 |
0 |
0 |
0 |
0.000 |
| 24 |
25 |
|
B |
7 |
4 |
11756 |
◊ |
A |
x-1/2,-y+1,-z+1/2 |
4_465 |
6 |
3 |
11762 |
51.8 |
0.1 |
0.700 |
0 |
0 |
0 |
0.000 |
26 |
|
B |
5 |
2 |
11756 |
◊ |
A |
x-1/2,-y,-z+1/2 |
4_455 |
5 |
3 |
11762 |
46.6 |
0.0 |
0.639 |
0 |
0 |
0 |
0.000 |
| Average: |
49.2 |
0.1 |
0.669 |
0 |
0 |
0 |
0.000 |
| 25 |
27 |
|
[CL]A:305 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
11762 |
50.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
1.000 |
28 |
|
B |
10 |
4 |
11756 |
◊ |
[CL]A:305 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
49.9 |
-6.6 |
0.000 |
0 |
0 |
0 |
1.000 |
| Average: |
50.1 |
-6.7 |
0.000 |
0 |
0 |
0 |
1.000 |
| 26 |
29 |
|
[PGE]B:306 |
5 |
1 |
316 |
f |
B |
-x,y,-z |
2_555 |
8 |
2 |
11756 |
45.8 |
1.1 |
0.248 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[MG]A:306 |
1 |
1 |
98 |
◊ |
B |
-x,y,-z |
2_555 |
10 |
4 |
11756 |
44.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
1.000 |
31 |
|
[MG]A:306 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
11762 |
44.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
1.000 |
| Average: |
44.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
1.000 |
| 28 |
32 |
|
[EDO]B:305 |
2 |
1 |
185 |
◊ |
[PEG]B:302 |
x,y,z |
1_555 |
4 |
1 |
252 |
39.0 |
1.9 |
0.424 |
0 |
0 |
0 |
0.000 |
| 29 |
33 |
|
[EDO]B:309 |
3 |
1 |
183 |
f |
[PEG]B:302 |
x,y,z |
1_555 |
5 |
1 |
252 |
35.7 |
1.1 |
0.266 |
1 |
0 |
0 |
0.000 |
| 30 |
34 |
|
B |
6 |
2 |
11756 |
x |
B |
x-1,y,z |
1_455 |
3 |
3 |
11756 |
21.5 |
0.1 |
0.672 |
0 |
0 |
0 |
0.000 |
| 31 |
35 |
|
[EDO]B:304 |
2 |
1 |
185 |
◊ |
[EDO]B:304 |
-x,y,-z |
2_555 |
2 |
1 |
185 |
16.5 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
| 32 |
36 |
|
[EDO]B:305 |
2 |
1 |
185 |
f |
B |
x-1,y,z |
1_455 |
2 |
1 |
11756 |
16.1 |
0.7 |
0.913 |
0 |
0 |
0 |
0.000 |
| 33 |
37 |
|
A |
4 |
2 |
11762 |
f |
[PG4]A:302 |
x-1/2,-y+1,-z+1/2 |
4_465 |
3 |
1 |
396 |
15.4 |
0.2 |
0.392 |
0 |
0 |
0 |
0.000 |
| 34 |
38 |
|
[EDO]A:304 |
1 |
1 |
185 |
f |
A |
-x,y,-z |
2_555 |
2 |
1 |
11762 |
14.5 |
-0.1 |
0.524 |
0 |
0 |
0 |
0.011 |
| 35 |
39 |
|
A |
6 |
2 |
11762 |
x |
A |
x-1,y,z |
1_455 |
2 |
2 |
11762 |
14.2 |
-0.0 |
0.620 |
0 |
0 |
0 |
0.000 |
| 36 |
40 |
|
B |
1 |
1 |
11756 |
f |
[PEG]A:301 |
x,y-1,z |
1_545 |
2 |
1 |
254 |
5.5 |
0.0 |
0.210 |
0 |
0 |
0 |
0.000 |
| 37 |
41 |
|
[PEG]B:301 |
1 |
1 |
257 |
f |
A |
x,y-1,z |
1_545 |
1 |
1 |
11762 |
4.5 |
0.1 |
0.317 |
0 |
0 |
0 |
0.000 |
|