## |
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 |
56 |
15 |
15952 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
60 |
19 |
15952 |
481.8 |
-2.2 |
0.498 |
5 |
4 |
0 |
0.000 |
2 |
|
A |
47 |
16 |
15952 |
x |
A |
-x-1/2,-y,z-1/2 |
2_454 |
52 |
16 |
15952 |
468.6 |
-0.0 |
0.529 |
6 |
1 |
0 |
0.000 |
3 |
|
A |
41 |
17 |
15952 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
52 |
12 |
15952 |
457.0 |
-5.5 |
0.167 |
4 |
2 |
0 |
0.000 |
4 |
|
A |
36 |
12 |
15952 |
x |
A |
-x+1/2,-y,z-1/2 |
2_554 |
24 |
6 |
15952 |
275.8 |
-1.6 |
0.404 |
3 |
0 |
0 |
0.000 |
5 |
|
A |
17 |
4 |
15952 |
x |
A |
x-1,y,z |
1_455 |
29 |
10 |
15952 |
193.5 |
-1.9 |
0.342 |
0 |
0 |
0 |
0.000 |
6 |
|
[SO4]A:349 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
15952 |
106.4 |
-18.0 |
0.635 |
3 |
0 |
0 |
0.021 |
7 |
|
[EDO]A:336 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
15952 |
103.8 |
2.7 |
0.442 |
4 |
0 |
0 |
0.000 |
8 |
|
[EDO]A:339 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
15952 |
97.5 |
3.4 |
0.529 |
2 |
0 |
0 |
0.000 |
9 |
|
[EDO]A:334 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
15952 |
97.0 |
3.3 |
0.531 |
2 |
0 |
0 |
0.000 |
10 |
|
[EDO]A:338 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
15952 |
85.3 |
1.9 |
0.361 |
0 |
0 |
0 |
0.000 |
11 |
|
[PEG]A:350 |
7 |
1 |
245 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
16 |
6 |
15952 |
82.6 |
2.2 |
0.289 |
0 |
0 |
0 |
0.000 |
12 |
|
[NA]A:341 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
15952 |
80.5 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.013 |
13 |
|
[EDO]A:335 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
15952 |
77.5 |
2.0 |
0.450 |
2 |
0 |
0 |
0.000 |
14 |
|
[CL]A:344 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
15952 |
75.5 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.012 |
15 |
|
[NA]A:343 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
15952 |
71.2 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.009 |
16 |
|
[NA]A:340 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
15952 |
69.1 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.013 |
17 |
|
[NA]A:342 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
15952 |
66.1 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.010 |
18 |
|
[PEG]A:350 |
6 |
1 |
245 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
15952 |
65.0 |
1.3 |
0.238 |
1 |
0 |
0 |
0.000 |
19 |
|
[EDO]A:337 |
4 |
1 |
184 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
2 |
15952 |
58.8 |
1.8 |
0.830 |
2 |
0 |
0 |
0.000 |
20 |
|
[NA]A:348 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
15952 |
58.4 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.009 |
21 |
|
[CL]A:345 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
15952 |
55.2 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.009 |
22 |
|
A |
9 |
3 |
15952 |
f |
[CL]A:346 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
50.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.007 |
23 |
|
[NA]A:347 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
15952 |
45.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.005 |
24 |
|
[EDO]A:334 |
4 |
1 |
186 |
f |
A |
-x-1/2,-y,z-1/2 |
2_454 |
6 |
1 |
15952 |
42.8 |
1.6 |
0.823 |
0 |
0 |
0 |
0.000 |
25 |
|
[NA]A:347 |
1 |
1 |
125 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
7 |
4 |
15952 |
42.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
|
A |
5 |
3 |
15952 |
◊ |
[EDO]A:335 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
183 |
41.6 |
0.5 |
0.532 |
0 |
0 |
0 |
0.000 |
27 |
|
[PEG]A:350 |
3 |
1 |
245 |
f |
[EDO]A:337 |
x,y,z |
1_555 |
4 |
1 |
184 |
40.4 |
0.9 |
0.301 |
2 |
0 |
0 |
0.000 |
28 |
|
[EDO]A:337 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
15952 |
38.4 |
0.5 |
0.706 |
1 |
0 |
0 |
0.000 |
29 |
|
A |
4 |
2 |
15952 |
f |
[EDO]A:339 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
186 |
38.0 |
1.3 |
0.903 |
1 |
0 |
0 |
0.000 |
30 |
|
[CL]A:346 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
15952 |
33.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
|
[PEG]A:350 |
3 |
1 |
245 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
3 |
15952 |
32.8 |
1.0 |
0.409 |
0 |
0 |
0 |
0.000 |
32 |
|
[PEG]A:350 |
3 |
1 |
245 |
◊ |
[EDO]A:335 |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
183 |
32.2 |
1.8 |
0.356 |
0 |
0 |
0 |
0.000 |
33 |
|
[EDO]A:337 |
2 |
1 |
184 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
4 |
2 |
15952 |
24.1 |
0.4 |
0.800 |
0 |
0 |
0 |
0.000 |
34 |
|
A |
4 |
2 |
15952 |
◊ |
[NA]A:348 |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
125 |
10.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|