| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
A |
200 |
58 |
14939 |
x |
A |
z,x,y |
5_555 |
192 |
49 |
14939 |
1804.6 |
-19.5 |
0.093 |
9 |
2 |
0 |
0.000 |
2 |
|
A |
130 |
35 |
14939 |
x |
A |
z+1/2,-x+1/2,-y+1/2 |
18_555 |
135 |
35 |
14939 |
1222.4 |
-7.1 |
0.393 |
15 |
4 |
0 |
0.000 |
3 |
|
A |
76 |
22 |
14939 |
x |
A |
-z+1/2,-x+1/2,y-1/2 |
19_554 |
90 |
26 |
14939 |
760.7 |
-2.9 |
0.469 |
10 |
2 |
0 |
0.000 |
4 |
|
A |
82 |
21 |
14939 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
82 |
21 |
14939 |
680.8 |
-2.2 |
0.532 |
10 |
8 |
0 |
0.107 |
5 |
|
A |
59 |
18 |
14939 |
◊ |
A |
-x+1,-y,z |
2_655 |
59 |
18 |
14939 |
511.9 |
-3.6 |
0.386 |
2 |
0 |
0 |
0.067 |
6 |
|
A |
58 |
14 |
14939 |
x |
A |
-z+1/2,x-1/2,-y+1/2 |
20_545 |
61 |
14 |
14939 |
499.3 |
-2.2 |
0.510 |
6 |
4 |
0 |
0.000 |
7 |
|
[CTP]A:304 |
24 |
1 |
576 |
f |
A |
x,y,z |
1_555 |
37 |
10 |
14939 |
274.6 |
-0.4 |
0.713 |
13 |
0 |
0 |
0.186 |
8 |
|
A |
30 |
7 |
14939 |
x |
A |
z+1/2,x-1/2,y-1/2 |
17_544 |
25 |
7 |
14939 |
233.5 |
-0.8 |
0.479 |
4 |
2 |
0 |
0.000 |
9 |
|
[ATP]A:305 |
22 |
1 |
614 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
14939 |
208.8 |
3.5 |
0.840 |
6 |
0 |
0 |
0.000 |
10 |
|
A |
21 |
6 |
14939 |
x |
A |
-x+1/2,y-1/2,-z+1/2 |
15_545 |
27 |
9 |
14939 |
194.0 |
-1.5 |
0.377 |
2 |
2 |
0 |
0.000 |
11 |
|
[ATP]A:305 |
15 |
1 |
614 |
◊ |
A |
-x+1,y,-z |
3_655 |
18 |
6 |
14939 |
111.0 |
-2.5 |
0.439 |
2 |
0 |
0 |
0.092 |
12 |
|
[EDO]A:306 |
4 |
1 |
184 |
◊ |
A |
z+1/2,-x+1/2,-y+1/2 |
18_555 |
13 |
7 |
14939 |
68.9 |
0.9 |
0.209 |
2 |
0 |
0 |
0.000 |
13 |
|
A |
11 |
5 |
14939 |
◊ |
A |
x,-y,-z |
4_555 |
11 |
5 |
14939 |
68.4 |
0.9 |
0.774 |
0 |
0 |
0 |
0.000 |
14 |
|
[ACE]A:1 |
3 |
1 |
172 |
◊ |
A |
-x+1,-y,z |
2_655 |
12 |
6 |
14939 |
63.5 |
-1.5 |
0.504 |
0 |
0 |
0 |
0.045 |
15 |
|
A |
8 |
3 |
14939 |
◊ |
A |
-x+1,y,-z |
3_655 |
8 |
3 |
14939 |
62.2 |
0.4 |
0.695 |
0 |
0 |
0 |
0.000 |
16 |
|
[CTP]A:304 |
4 |
1 |
576 |
x |
[CTP]A:304 |
z,-x+1,-y+1 |
6_566 |
7 |
1 |
576 |
52.6 |
-0.8 |
0.424 |
0 |
0 |
0 |
0.000 |
17 |
|
A |
9 |
3 |
14939 |
x |
A |
z,-x+1,-y+1 |
6_566 |
9 |
2 |
14939 |
51.2 |
0.3 |
0.640 |
0 |
0 |
0 |
0.000 |
18 |
|
[EDO]A:306 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
14939 |
47.2 |
1.2 |
0.261 |
1 |
0 |
0 |
0.000 |
19 |
|
[CTP]A:304 |
7 |
1 |
576 |
f |
[MG]A:303 |
x,y,z |
1_555 |
1 |
1 |
98 |
44.6 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.214 |
20 |
|
[CTP]A:304 |
5 |
1 |
576 |
◊ |
A |
z,-x+1,-y+1 |
6_566 |
2 |
1 |
14939 |
41.7 |
0.6 |
0.750 |
2 |
0 |
0 |
0.000 |
21 |
|
[CTP]A:304 |
6 |
1 |
576 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
4 |
2 |
14939 |
40.3 |
-1.9 |
0.331 |
0 |
0 |
0 |
0.053 |
22 |
|
[ATP]A:305 |
8 |
1 |
614 |
◊ |
A |
-z+1/2,-x+1/2,y-1/2 |
19_554 |
7 |
2 |
14939 |
40.0 |
0.4 |
0.665 |
0 |
0 |
0 |
0.000 |
23 |
|
[ATP]A:305 |
3 |
1 |
614 |
f |
[MG]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.9 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.171 |
24 |
|
[ACE]A:1 |
3 |
1 |
172 |
cf |
A |
x,y,z |
1_555 |
5 |
2 |
14939 |
36.9 |
-0.2 |
0.824 |
0 |
0 |
0 |
0.005 |
25 |
|
[ACE]A:1 |
3 |
1 |
172 |
◊ |
A |
z+1/2,x-1/2,y-1/2 |
17_544 |
5 |
3 |
14939 |
34.9 |
-0.9 |
0.376 |
0 |
0 |
0 |
0.000 |
26 |
|
[CL]A:301 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
14939 |
34.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.132 |
27 |
|
[EDO]A:306 |
2 |
1 |
184 |
◊ |
A |
z+1/2,x-1/2,y-1/2 |
17_544 |
7 |
1 |
14939 |
30.7 |
0.7 |
0.373 |
0 |
0 |
0 |
0.000 |
28 |
|
[CTP]A:304 |
5 |
1 |
576 |
◊ |
A |
z,x,y |
5_555 |
2 |
1 |
14939 |
25.0 |
-0.4 |
0.550 |
0 |
0 |
0 |
0.000 |
29 |
|
[CL]A:301 |
1 |
1 |
125 |
◊ |
A |
-x+1,-y,z |
2_655 |
2 |
1 |
14939 |
22.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.070 |
30 |
|
[CL]A:301 |
1 |
1 |
125 |
◊ |
A |
-z+1/2,x-1/2,-y+1/2 |
20_545 |
7 |
3 |
14939 |
21.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
|
[MG]A:303 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
14939 |
21.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.064 |
32 |
|
[MG]A:302 |
1 |
1 |
98 |
◊ |
A |
-z+1/2,-x+1/2,y-1/2 |
19_554 |
5 |
2 |
14939 |
20.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
|
[CL]A:301 |
1 |
1 |
125 |
◊ |
[ACE]A:1 |
-x+1,-y,z |
2_655 |
2 |
1 |
172 |
17.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.062 |
34 |
|
[MG]A:302 |
1 |
1 |
98 |
◊ |
A |
-x+1,y,-z |
3_655 |
5 |
2 |
14939 |
17.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.040 |
35 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
14939 |
13.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.018 |
36 |
|
[CL]A:301 |
1 |
1 |
125 |
◊ |
A |
-z+1/2,-x+1/2,y-1/2 |
19_554 |
2 |
1 |
14939 |
12.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
|
[EDO]A:306 |
1 |
1 |
184 |
f |
[CL]A:301 |
-x+1,-y,z |
2_655 |
1 |
1 |
125 |
10.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.018 |
38 |
|
[MG]A:303 |
1 |
1 |
98 |
◊ |
A |
z,x,y |
5_555 |
3 |
1 |
14939 |
10.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
|
[EDO]A:306 |
1 |
1 |
184 |
◊ |
[ACE]A:1 |
x,y,z |
1_555 |
2 |
1 |
172 |
4.6 |
0.1 |
0.943 |
0 |
0 |
0 |
0.000 |
40 |
|
A |
1 |
1 |
14939 |
◊ |
[CTP]A:304 |
z,-x+1,-y+1 |
6_566 |
1 |
1 |
576 |
4.5 |
0.2 |
0.646 |
0 |
0 |
0 |
0.000 |
|