## |
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 |
|
[KNH]A:201 |
38 |
1 |
848 |
◊ |
A |
x,y,z |
1_555 |
77 |
27 |
10717 |
573.4 |
-15.9 |
0.656 |
12 |
0 |
0 |
0.000 |
2 |
|
A |
55 |
18 |
10717 |
◊ |
A |
x-y,-y,-z |
8_555 |
55 |
18 |
10717 |
442.8 |
-3.0 |
0.977 |
4 |
4 |
0 |
0.000 |
3 |
|
A |
58 |
19 |
10717 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
36 |
8 |
10717 |
402.5 |
-4.9 |
0.827 |
5 |
2 |
0 |
0.000 |
4 |
|
[OLC]A:210 |
22 |
1 |
712 |
◊ |
A |
x,y,z |
1_555 |
44 |
15 |
10717 |
326.3 |
1.5 |
0.664 |
0 |
0 |
0 |
0.000 |
5 |
|
[OLC]A:209 |
18 |
1 |
521 |
◊ |
A |
x,y,z |
1_555 |
47 |
15 |
10717 |
306.2 |
2.5 |
0.622 |
0 |
0 |
0 |
0.000 |
6 |
|
A |
33 |
12 |
10717 |
◊ |
A |
x-y,-y+1,-z |
8_565 |
28 |
10 |
10717 |
301.1 |
-6.6 |
0.455 |
0 |
0 |
0 |
0.000 |
7 |
|
[OLC]A:208 |
17 |
1 |
552 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
10717 |
186.1 |
0.7 |
0.372 |
2 |
0 |
0 |
0.000 |
8 |
|
A |
20 |
5 |
10717 |
◊ |
[OLC]A:208 |
x-y,-y+1,-z |
8_565 |
16 |
1 |
552 |
165.0 |
0.7 |
0.424 |
0 |
0 |
0 |
0.000 |
9 |
|
[OLC]A:205 |
14 |
1 |
450 |
◊ |
A |
x,y,z |
1_555 |
23 |
7 |
10717 |
163.4 |
2.2 |
0.425 |
2 |
0 |
0 |
0.000 |
10 |
|
[OLC]A:206 |
14 |
1 |
427 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
10717 |
145.5 |
1.3 |
0.385 |
2 |
0 |
0 |
0.000 |
11 |
|
A |
19 |
7 |
10717 |
◊ |
A |
-y,-x,-z-1/6 |
10_554 |
19 |
7 |
10717 |
122.4 |
-1.6 |
0.821 |
0 |
0 |
0 |
0.000 |
12 |
|
[OLC]A:210 |
18 |
1 |
712 |
◊ |
[OLC]A:211 |
x,y,z |
1_555 |
13 |
1 |
446 |
122.1 |
1.3 |
0.199 |
1 |
0 |
0 |
0.000 |
13 |
|
[PEG]A:214 |
7 |
1 |
260 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
10717 |
108.4 |
1.5 |
0.359 |
0 |
0 |
0 |
0.000 |
14 |
|
[OLC]A:211 |
11 |
1 |
446 |
◊ |
[OLC]A:208 |
x,y,z |
1_555 |
10 |
1 |
552 |
97.7 |
3.5 |
0.276 |
0 |
0 |
0 |
0.000 |
15 |
|
[OLC]A:209 |
13 |
1 |
521 |
◊ |
[OLC]A:204 |
x,y,z |
1_555 |
9 |
1 |
394 |
97.3 |
3.8 |
0.280 |
0 |
0 |
0 |
0.000 |
16 |
|
[OLC]A:207 |
10 |
1 |
424 |
◊ |
[OLC]A:206 |
x,y,z |
1_555 |
8 |
1 |
427 |
86.4 |
1.1 |
0.182 |
2 |
0 |
0 |
0.000 |
17 |
|
[OLC]A:206 |
8 |
1 |
427 |
◊ |
[OLC]A:205 |
x,y,z |
1_555 |
9 |
1 |
450 |
83.4 |
1.2 |
0.179 |
1 |
0 |
0 |
0.000 |
18 |
|
[OLC]A:210 |
5 |
1 |
712 |
◊ |
[KNH]A:201 |
x,y,z |
1_555 |
12 |
1 |
848 |
82.5 |
-1.9 |
0.404 |
0 |
0 |
0 |
0.000 |
19 |
|
[SO4]A:217 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
10717 |
80.6 |
-11.0 |
0.924 |
1 |
0 |
0 |
0.000 |
20 |
|
[OLC]A:204 |
9 |
1 |
394 |
◊ |
A |
x-y,-y+1,-z |
8_565 |
9 |
2 |
10717 |
80.5 |
-0.8 |
0.304 |
0 |
0 |
0 |
0.000 |
21 |
|
[PEG]A:212 |
6 |
1 |
259 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
18 |
3 |
10717 |
78.7 |
1.1 |
0.315 |
0 |
0 |
0 |
0.000 |
22 |
|
[PEG]A:212 |
6 |
1 |
259 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
10717 |
78.2 |
1.9 |
0.375 |
0 |
0 |
0 |
0.000 |
23 |
|
A |
12 |
5 |
10717 |
◊ |
[PEG]A:213 |
x-y,x,z+1/6 |
6_555 |
7 |
1 |
261 |
76.3 |
1.6 |
0.281 |
1 |
0 |
0 |
0.000 |
24 |
|
[SO4]A:215 |
5 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
10717 |
73.6 |
-10.8 |
0.945 |
5 |
0 |
0 |
0.000 |
25 |
|
[SO4]A:218 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
10717 |
72.5 |
-10.9 |
0.893 |
3 |
0 |
0 |
0.000 |
26 |
|
[OLC]A:205 |
7 |
1 |
450 |
◊ |
A |
x-y,-y+1,-z |
8_565 |
9 |
4 |
10717 |
70.5 |
-0.3 |
0.314 |
0 |
0 |
0 |
0.000 |
27 |
|
[SO4]A:216 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
10717 |
69.6 |
-9.7 |
0.935 |
4 |
0 |
0 |
0.000 |
28 |
|
[OLC]A:207 |
9 |
1 |
424 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
10717 |
67.7 |
-0.8 |
0.239 |
0 |
0 |
0 |
0.000 |
29 |
|
[OLC]A:207 |
8 |
1 |
424 |
◊ |
A |
x-y,-y,-z |
8_555 |
8 |
3 |
10717 |
65.3 |
-0.1 |
0.317 |
0 |
0 |
0 |
0.000 |
30 |
|
A |
7 |
3 |
10717 |
◊ |
A |
x,x-y,-z+1/6 |
12_555 |
7 |
3 |
10717 |
61.9 |
-0.9 |
0.707 |
0 |
4 |
0 |
0.000 |
31 |
|
[OLC]A:204 |
8 |
1 |
394 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
10717 |
58.4 |
1.0 |
0.374 |
0 |
0 |
0 |
0.000 |
32 |
|
[PEG]A:213 |
6 |
1 |
261 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
10717 |
56.8 |
2.0 |
0.358 |
1 |
0 |
0 |
0.000 |
33 |
|
[OLC]A:210 |
5 |
1 |
712 |
◊ |
[OLC]A:208 |
x,y,z |
1_555 |
6 |
1 |
552 |
54.6 |
1.0 |
0.394 |
0 |
0 |
0 |
0.000 |
34 |
|
[ZN]A:202 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
10717 |
48.6 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
|
[OLC]A:211 |
7 |
1 |
446 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
10717 |
47.9 |
-0.8 |
0.283 |
0 |
0 |
0 |
0.000 |
36 |
|
[SO4]A:217 |
4 |
1 |
185 |
◊ |
[OLC]A:207 |
x,y,z |
1_555 |
3 |
1 |
424 |
35.3 |
-4.1 |
0.524 |
1 |
0 |
0 |
0.000 |
37 |
|
[SO4]A:215 |
4 |
1 |
184 |
◊ |
A |
x-y,-y+1,-z |
8_565 |
5 |
2 |
10717 |
34.5 |
-3.0 |
0.969 |
1 |
0 |
0 |
0.000 |
38 |
|
[OLC]A:211 |
2 |
1 |
446 |
◊ |
[KNH]A:201 |
x,y,z |
1_555 |
4 |
1 |
848 |
32.0 |
1.1 |
0.678 |
0 |
0 |
0 |
0.000 |
39 |
|
[PEG]A:212 |
5 |
1 |
259 |
◊ |
A |
x,x-y,-z+1/6 |
12_555 |
6 |
1 |
10717 |
31.3 |
0.7 |
0.286 |
0 |
0 |
0 |
0.000 |
40 |
|
[SO4]A:215 |
3 |
1 |
184 |
◊ |
[OLC]A:205 |
x,y,z |
1_555 |
3 |
1 |
450 |
30.7 |
-4.5 |
0.250 |
2 |
0 |
0 |
0.000 |
41 |
|
[SO4]A:215 |
4 |
1 |
184 |
◊ |
[OLC]A:206 |
x,y,z |
1_555 |
3 |
1 |
427 |
25.3 |
-3.0 |
0.435 |
1 |
0 |
0 |
0.000 |
42 |
|
[ZN]A:203 |
1 |
1 |
98 |
◊ |
A |
x-y,-y,-z |
8_555 |
5 |
2 |
10717 |
25.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
|
[SO4]A:217 |
3 |
1 |
185 |
◊ |
[PEG]A:213 |
-y,-x,-z-1/6 |
10_554 |
2 |
1 |
261 |
25.0 |
-1.8 |
0.569 |
0 |
0 |
0 |
0.000 |
44 |
|
[PEG]A:213 |
2 |
1 |
261 |
◊ |
[OLC]A:207 |
-y,-x,-z-1/6 |
10_554 |
3 |
1 |
424 |
24.8 |
-0.0 |
0.242 |
1 |
0 |
0 |
0.000 |
45 |
|
[ZN]A:203 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
10717 |
23.9 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
|
[OLC]A:208 |
1 |
1 |
552 |
◊ |
[KNH]A:201 |
x,y,z |
1_555 |
3 |
1 |
848 |
21.2 |
-0.2 |
0.428 |
0 |
0 |
0 |
0.000 |
47 |
|
[PEG]A:213 |
4 |
1 |
261 |
◊ |
A |
-y,-x,-z-1/6 |
10_554 |
3 |
1 |
10717 |
19.9 |
0.7 |
0.290 |
0 |
0 |
0 |
0.000 |
48 |
|
[ZN]A:203 |
1 |
1 |
98 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
2 |
1 |
10717 |
18.4 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
|
[ZN]A:203 |
1 |
1 |
98 |
◊ |
A |
x,x-y,-z+1/6 |
12_555 |
5 |
2 |
10717 |
18.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
|
[OLC]A:205 |
4 |
1 |
450 |
◊ |
[SO4]A:216 |
x-y,-y+1,-z |
8_565 |
1 |
1 |
185 |
17.2 |
-2.7 |
0.344 |
0 |
0 |
0 |
0.000 |
51 |
|
[SO4]A:217 |
1 |
1 |
185 |
◊ |
[OLC]A:206 |
x,y,z |
1_555 |
2 |
1 |
427 |
15.6 |
-2.5 |
0.429 |
1 |
0 |
0 |
0.000 |
52 |
|
[SO4]A:218 |
1 |
1 |
185 |
◊ |
A |
x-y,-y+1,-z |
8_565 |
2 |
1 |
10717 |
8.6 |
-0.8 |
0.861 |
0 |
0 |
0 |
0.000 |
53 |
|
[SO4]A:217 |
1 |
1 |
185 |
◊ |
A |
-y,-x,-z-1/6 |
10_554 |
2 |
1 |
10717 |
8.5 |
-1.2 |
0.825 |
0 |
0 |
0 |
0.000 |
54 |
|
[SO4]A:215 |
1 |
1 |
184 |
◊ |
[SO4]A:216 |
x-y,-y+1,-z |
8_565 |
1 |
1 |
185 |
8.0 |
-1.9 |
0.800 |
0 |
0 |
0 |
0.000 |
55 |
|
A |
2 |
1 |
10717 |
◊ |
[OLC]A:210 |
x-y,-y+1,-z |
8_565 |
1 |
1 |
712 |
7.2 |
-0.5 |
0.461 |
0 |
0 |
0 |
0.000 |
56 |
|
[PEG]A:212 |
4 |
1 |
259 |
◊ |
[ZN]A:203 |
x,x-y,-z+1/6 |
12_555 |
1 |
1 |
98 |
5.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
|
[PEG]A:213 |
1 |
1 |
261 |
◊ |
[ZN]A:203 |
x-y,-y,-z |
8_555 |
1 |
1 |
98 |
5.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
|
[SO4]A:216 |
1 |
1 |
185 |
◊ |
[PEG]A:214 |
x,y,z |
1_555 |
1 |
1 |
260 |
4.8 |
-0.4 |
0.478 |
0 |
0 |
0 |
0.000 |
59 |
|
[OLC]A:209 |
1 |
1 |
521 |
◊ |
A |
x-y,-y+1,-z |
8_565 |
1 |
1 |
10717 |
4.7 |
0.1 |
0.351 |
0 |
0 |
0 |
0.000 |
60 |
|
[SO4]A:217 |
1 |
1 |
185 |
◊ |
A |
x-y,-y,-z |
8_555 |
2 |
1 |
10717 |
3.5 |
-0.6 |
0.717 |
0 |
0 |
0 |
0.000 |
61 |
|
[ZN]A:202 |
1 |
1 |
98 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
10717 |
3.4 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
62 |
|
[PEG]A:212 |
1 |
1 |
259 |
◊ |
[PEG]A:213 |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
261 |
2.4 |
0.0 |
0.286 |
0 |
0 |
0 |
0.000 |
|