| ## |
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 |
191 |
51 |
12300 |
◊ |
A |
x,y,z |
1_555 |
185 |
50 |
12833 |
1864.5 |
-38.2 |
0.001 |
11 |
3 |
0 |
0.539 |
| 2 |
2 |
|
[NAP]A:301 |
47 |
1 |
873 |
f |
A |
x,y,z |
1_555 |
86 |
31 |
12833 |
600.4 |
-3.5 |
0.651 |
22 |
0 |
0 |
0.323 |
3 |
|
[NAP]B:301 |
46 |
1 |
870 |
f |
B |
x,y,z |
1_555 |
84 |
32 |
12300 |
593.7 |
-3.5 |
0.624 |
21 |
0 |
0 |
0.323 |
| Average: |
597.1 |
-3.5 |
0.637 |
22 |
0 |
0 |
0.323 |
| 3 |
4 |
|
B |
56 |
18 |
12300 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
45 |
9 |
12833 |
440.6 |
-5.1 |
0.293 |
1 |
0 |
0 |
0.000 |
| 4 |
5 |
|
A |
46 |
18 |
12833 |
x |
A |
-x-1/2,-y+1,z-1/2 |
2_464 |
38 |
13 |
12833 |
377.1 |
0.6 |
0.804 |
6 |
2 |
0 |
0.000 |
| 5 |
6 |
|
B |
40 |
11 |
12300 |
x |
B |
-x-1/2,-y,z-1/2 |
2_454 |
40 |
12 |
12300 |
339.6 |
0.6 |
0.781 |
3 |
3 |
0 |
0.000 |
| 6 |
7 |
|
[H4H]A:302 |
22 |
1 |
489 |
f |
A |
x,y,z |
1_555 |
51 |
17 |
12833 |
318.1 |
-8.6 |
0.376 |
6 |
0 |
0 |
0.266 |
8 |
|
[H4H]B:302 |
21 |
1 |
497 |
f |
B |
x,y,z |
1_555 |
49 |
18 |
12300 |
270.2 |
-7.5 |
0.333 |
6 |
0 |
0 |
0.266 |
| Average: |
294.1 |
-8.0 |
0.354 |
6 |
0 |
0 |
0.266 |
| 7 |
9 |
|
B |
28 |
7 |
12300 |
◊ |
A |
-x-1/2,-y+1,z-1/2 |
2_464 |
32 |
8 |
12833 |
263.0 |
0.4 |
0.755 |
5 |
5 |
0 |
0.000 |
| 8 |
10 |
|
B |
17 |
7 |
12300 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
15 |
6 |
12833 |
129.6 |
0.5 |
0.721 |
0 |
0 |
0 |
0.000 |
| 9 |
11 |
|
[EDO]A:305 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
12833 |
111.1 |
3.6 |
0.542 |
6 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[EDO]B:305 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
12300 |
94.2 |
2.2 |
0.288 |
4 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[H4H]B:302 |
12 |
1 |
497 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
13 |
3 |
12833 |
93.0 |
-2.7 |
0.328 |
0 |
0 |
0 |
0.000 |
| 12 |
14 |
|
[EDO]B:304 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
12300 |
91.1 |
1.5 |
0.226 |
3 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[EDO]A:303 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
12833 |
90.7 |
2.8 |
0.297 |
1 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[EDO]A:304 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
12833 |
90.4 |
1.5 |
0.225 |
3 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[EDO]B:303 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
12300 |
90.4 |
2.7 |
0.490 |
1 |
0 |
0 |
0.000 |
| 16 |
18 |
|
[EDO]B:306 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
12833 |
89.1 |
2.5 |
0.409 |
1 |
0 |
0 |
0.000 |
| 17 |
19 |
|
A |
9 |
5 |
12833 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
9 |
4 |
12300 |
86.3 |
2.1 |
0.910 |
2 |
2 |
0 |
0.000 |
| 18 |
20 |
|
[H4H]A:302 |
9 |
1 |
489 |
f |
[NAP]A:301 |
x,y,z |
1_555 |
10 |
1 |
873 |
70.9 |
0.1 |
0.653 |
0 |
0 |
0 |
0.001 |
21 |
|
[H4H]B:302 |
8 |
1 |
497 |
f |
[NAP]B:301 |
x,y,z |
1_555 |
10 |
1 |
870 |
64.4 |
-0.2 |
0.613 |
0 |
0 |
0 |
0.001 |
| Average: |
67.6 |
-0.1 |
0.633 |
0 |
0 |
0 |
0.001 |
| 19 |
22 |
|
[EDO]B:306 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
12300 |
57.8 |
1.7 |
0.871 |
1 |
0 |
0 |
0.000 |
| 20 |
23 |
|
B |
7 |
2 |
12300 |
◊ |
[EDO]A:305 |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
184 |
33.4 |
1.1 |
0.570 |
0 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[EDO]A:304 |
3 |
1 |
185 |
f |
[EDO]A:303 |
x,y,z |
1_555 |
4 |
1 |
184 |
32.6 |
1.8 |
1.000 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[EDO]B:303 |
2 |
1 |
185 |
f |
[NAP]B:301 |
x,y,z |
1_555 |
4 |
1 |
870 |
29.8 |
-0.5 |
0.501 |
1 |
0 |
0 |
0.012 |
| 23 |
26 |
|
[EDO]B:304 |
3 |
1 |
186 |
f |
[EDO]B:303 |
x,y,z |
1_555 |
3 |
1 |
185 |
29.7 |
1.6 |
1.000 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
[EDO]A:303 |
2 |
1 |
184 |
f |
[NAP]A:301 |
x,y,z |
1_555 |
3 |
1 |
873 |
29.5 |
-0.8 |
0.443 |
1 |
0 |
0 |
0.015 |
| 25 |
28 |
|
A |
3 |
3 |
12833 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
4 |
12833 |
15.5 |
0.1 |
0.638 |
0 |
0 |
0 |
0.000 |
| 26 |
29 |
|
B |
2 |
1 |
12300 |
x |
B |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
2 |
12300 |
14.0 |
0.4 |
0.740 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[EDO]B:304 |
2 |
1 |
186 |
f |
[NAP]B:301 |
x,y,z |
1_555 |
2 |
1 |
870 |
11.6 |
-0.2 |
0.500 |
0 |
0 |
0 |
0.003 |
| 28 |
31 |
|
[EDO]A:304 |
1 |
1 |
185 |
f |
[NAP]A:301 |
x,y,z |
1_555 |
1 |
1 |
873 |
8.1 |
-0.3 |
0.357 |
0 |
0 |
0 |
0.004 |
| 29 |
32 |
|
[EDO]B:305 |
2 |
1 |
185 |
f |
[NAP]B:301 |
x,y,z |
1_555 |
1 |
1 |
870 |
5.0 |
0.2 |
0.766 |
0 |
0 |
0 |
0.000 |
| 30 |
33 |
|
[NAP]B:301 |
1 |
1 |
870 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
12833 |
0.3 |
-0.0 |
0.602 |
0 |
0 |
0 |
0.000 |
|