| ## |
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 |
|
D |
57 |
23 |
8800 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
59 |
24 |
8115 |
613.8 |
-12.9 |
0.006 |
2 |
0 |
0 |
0.000 |
| 2 |
2 |
|
C |
51 |
14 |
8115 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
39 |
17 |
8110 |
478.7 |
-6.5 |
0.045 |
4 |
0 |
0 |
0.000 |
3 |
|
D |
52 |
14 |
8800 |
◊ |
B |
x,y,z |
1_555 |
40 |
19 |
8245 |
478.5 |
-6.8 |
0.049 |
2 |
0 |
0 |
0.000 |
| Average: |
478.6 |
-6.6 |
0.047 |
3 |
0 |
0 |
0.000 |
| 3 |
4 |
|
B |
49 |
13 |
8245 |
◊ |
A |
x,y,z |
1_555 |
49 |
13 |
8110 |
432.6 |
-2.5 |
0.395 |
10 |
8 |
0 |
0.000 |
| 4 |
5 |
|
A |
28 |
8 |
8110 |
◊ |
C |
x-1/2,-y+3/2,-z+1 |
4_466 |
30 |
8 |
8115 |
230.1 |
-0.6 |
0.494 |
5 |
2 |
0 |
0.000 |
| 5 |
6 |
|
B |
24 |
6 |
8245 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
25 |
6 |
8800 |
201.4 |
-1.3 |
0.429 |
3 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[PEG]D:301 |
7 |
1 |
261 |
◊ |
D |
x,y,z |
1_555 |
26 |
12 |
8800 |
178.8 |
3.5 |
0.381 |
3 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[PEG]C:302 |
7 |
1 |
260 |
f |
C |
x,y,z |
1_555 |
24 |
7 |
8115 |
143.7 |
4.7 |
0.512 |
2 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[PGE]B:301 |
9 |
1 |
330 |
f |
B |
x,y,z |
1_555 |
20 |
5 |
8245 |
136.6 |
2.5 |
0.140 |
3 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[PEG]C:301 |
7 |
1 |
262 |
◊ |
C |
x,y,z |
1_555 |
20 |
6 |
8115 |
136.1 |
5.3 |
0.489 |
4 |
0 |
0 |
0.000 |
| 10 |
11 |
|
C |
23 |
10 |
8115 |
◊ |
B |
x,y,z |
1_555 |
26 |
12 |
8245 |
132.6 |
1.8 |
0.761 |
2 |
3 |
0 |
0.000 |
| 11 |
12 |
|
[EDO]C:304 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
18 |
10 |
8115 |
112.2 |
3.2 |
0.455 |
5 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[EDO]B:302 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
8 |
8245 |
110.6 |
3.6 |
0.490 |
3 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[EDO]A:304 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
8110 |
110.3 |
3.9 |
0.517 |
6 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[EDO]C:303 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
8115 |
104.1 |
3.1 |
0.429 |
4 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[EDO]B:303 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
8245 |
102.4 |
3.5 |
0.510 |
4 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[EDO]A:301 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
8110 |
100.2 |
3.6 |
0.518 |
5 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[EDO]D:302 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
8800 |
99.2 |
2.5 |
0.274 |
2 |
0 |
0 |
0.000 |
| 18 |
19 |
|
[EDO]A:303 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
8110 |
98.7 |
3.1 |
0.483 |
4 |
0 |
0 |
0.000 |
| 19 |
20 |
|
[EDO]C:307 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
22 |
7 |
8115 |
98.4 |
3.3 |
0.444 |
2 |
0 |
0 |
0.000 |
| 20 |
21 |
|
[EDO]C:305 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
8115 |
98.2 |
3.0 |
0.479 |
4 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[EDO]D:304 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
14 |
6 |
8800 |
95.6 |
2.6 |
0.281 |
3 |
0 |
0 |
0.000 |
| 22 |
23 |
|
B |
8 |
2 |
8245 |
◊ |
C |
x-1,y,z |
1_455 |
13 |
5 |
8115 |
93.3 |
0.2 |
0.639 |
0 |
1 |
0 |
0.000 |
| 23 |
24 |
|
[EDO]A:302 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
8110 |
92.8 |
2.9 |
0.459 |
2 |
0 |
0 |
0.000 |
| 24 |
25 |
|
D |
12 |
3 |
8800 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
8115 |
86.4 |
-0.0 |
0.585 |
0 |
1 |
0 |
0.000 |
| 25 |
26 |
|
[EDO]C:306 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
8115 |
84.5 |
2.5 |
0.255 |
1 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[EDO]C:308 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
8115 |
70.3 |
1.4 |
0.591 |
2 |
0 |
0 |
0.000 |
| 27 |
28 |
|
A |
6 |
4 |
8110 |
f |
[PEG]C:301 |
x-1/2,-y+3/2,-z+1 |
4_466 |
5 |
1 |
262 |
65.5 |
0.7 |
0.221 |
1 |
0 |
0 |
0.000 |
| 28 |
29 |
|
D |
8 |
4 |
8800 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
4 |
1 |
8110 |
62.2 |
1.5 |
0.799 |
2 |
3 |
0 |
0.000 |
| 29 |
30 |
|
[EDO]A:305 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
8110 |
60.1 |
0.8 |
0.538 |
1 |
0 |
0 |
0.000 |
| 30 |
31 |
|
C |
6 |
2 |
8115 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8110 |
52.4 |
0.2 |
0.627 |
1 |
2 |
0 |
0.000 |
| 31 |
32 |
|
[EDO]A:305 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
8245 |
51.5 |
1.2 |
0.225 |
1 |
0 |
0 |
0.000 |
| 32 |
33 |
|
[EDO]B:303 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
1 |
8110 |
40.6 |
1.2 |
0.721 |
0 |
0 |
0 |
0.000 |
| 33 |
34 |
|
[EDO]A:301 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
8245 |
39.6 |
1.1 |
0.753 |
0 |
0 |
0 |
0.000 |
| 34 |
35 |
|
[EDO]D:303 |
3 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
8800 |
31.2 |
1.7 |
0.971 |
1 |
0 |
0 |
0.000 |
| 35 |
36 |
|
[EDO]A:305 |
3 |
1 |
184 |
f |
[EDO]A:302 |
x,y,z |
1_555 |
3 |
1 |
186 |
30.9 |
1.0 |
1.000 |
2 |
0 |
0 |
0.000 |
| 36 |
37 |
|
[EDO]D:303 |
1 |
1 |
185 |
f |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
8115 |
26.9 |
0.1 |
0.602 |
0 |
0 |
0 |
0.000 |
| 37 |
38 |
|
A |
1 |
1 |
8110 |
f |
[EDO]C:305 |
x-1/2,-y+3/2,-z+1 |
4_466 |
4 |
1 |
185 |
25.8 |
0.2 |
0.235 |
0 |
0 |
0 |
0.000 |
| 38 |
39 |
|
B |
1 |
1 |
8245 |
f |
[EDO]D:304 |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
185 |
16.3 |
0.3 |
0.265 |
0 |
0 |
0 |
0.000 |
| 39 |
40 |
|
A |
1 |
1 |
8110 |
x |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
2 |
1 |
8110 |
15.4 |
0.6 |
0.873 |
0 |
0 |
0 |
0.000 |
| 40 |
41 |
|
D |
2 |
2 |
8800 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
2 |
8245 |
10.8 |
-0.2 |
0.417 |
0 |
0 |
0 |
0.000 |
| 41 |
42 |
|
B |
1 |
1 |
8245 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
8110 |
9.0 |
0.5 |
0.880 |
0 |
0 |
0 |
0.000 |
| 42 |
43 |
|
[PEG]D:301 |
1 |
1 |
261 |
f |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
8115 |
8.1 |
0.1 |
0.264 |
0 |
0 |
0 |
0.000 |
| 43 |
44 |
|
[EDO]B:302 |
1 |
1 |
185 |
f |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
8800 |
4.0 |
-0.0 |
0.587 |
0 |
0 |
0 |
0.000 |
| 44 |
45 |
|
[EDO]A:302 |
2 |
1 |
186 |
f |
[EDO]A:301 |
x,y,z |
1_555 |
1 |
1 |
184 |
4.0 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
| 45 |
46 |
|
[EDO]C:308 |
2 |
1 |
185 |
f |
[EDO]C:303 |
x,y,z |
1_555 |
1 |
1 |
186 |
0.9 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 46 |
47 |
|
D |
1 |
1 |
8800 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
8245 |
0.3 |
0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
| 47 |
48 |
|
C |
1 |
1 |
8115 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
8245 |
0.2 |
0.0 |
0.645 |
0 |
0 |
0 |
0.000 |
|