## |
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 |
65 |
17 |
11199 |
◊ |
A |
-x,-x+y,-z+2/3 |
6_555 |
65 |
17 |
11199 |
611.3 |
-0.4 |
0.696 |
4 |
6 |
0 |
0.000 |
2 |
|
A |
62 |
19 |
11199 |
x |
A |
-y,x-y-1,z-1/3 |
2_544 |
66 |
18 |
11199 |
606.9 |
-4.9 |
0.361 |
10 |
6 |
0 |
0.000 |
3 |
|
[QLD]A:301 |
44 |
1 |
882 |
f |
A |
x,y,z |
1_555 |
76 |
26 |
11199 |
529.1 |
-11.4 |
0.440 |
3 |
0 |
0 |
0.384 |
4 |
|
H |
25 |
6 |
833 |
◊ |
A |
x,y,z |
1_555 |
44 |
18 |
11199 |
346.8 |
-7.5 |
0.385 |
3 |
0 |
1 |
0.354 |
5 |
|
A |
16 |
5 |
11199 |
◊ |
A |
x-y,-y,-z+1/3 |
5_555 |
16 |
5 |
11199 |
154.7 |
3.8 |
0.949 |
4 |
10 |
0 |
0.000 |
6 |
|
[SO4]A:302 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
25 |
14 |
11199 |
117.5 |
-20.6 |
0.685 |
4 |
0 |
0 |
0.676 |
7 |
|
[EDO]A:312 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
24 |
9 |
11199 |
111.9 |
3.8 |
0.653 |
3 |
0 |
0 |
0.000 |
8 |
|
[EDO]A:316 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
15 |
8 |
11199 |
110.4 |
3.0 |
0.427 |
3 |
0 |
0 |
0.000 |
9 |
|
[EDO]A:313 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
11199 |
105.2 |
3.2 |
0.405 |
2 |
0 |
0 |
0.000 |
10 |
|
[EDO]A:311 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
11199 |
98.1 |
2.1 |
0.416 |
1 |
0 |
0 |
0.000 |
11 |
|
[EDO]A:314 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
11199 |
96.8 |
2.9 |
0.473 |
3 |
0 |
0 |
0.000 |
12 |
|
A |
15 |
5 |
11199 |
f |
[EDO]A:306 |
-y,x-y-1,z-1/3 |
2_544 |
4 |
1 |
186 |
90.6 |
1.9 |
0.261 |
3 |
0 |
0 |
0.000 |
13 |
|
[EDO]A:305 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
11199 |
88.3 |
2.4 |
0.270 |
4 |
0 |
0 |
0.000 |
14 |
|
[EDO]A:308 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
11199 |
87.9 |
3.1 |
0.509 |
1 |
0 |
0 |
0.000 |
15 |
|
[EDO]A:309 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
11199 |
84.0 |
2.6 |
0.308 |
3 |
0 |
0 |
0.000 |
16 |
|
[EDO]A:310 |
4 |
1 |
184 |
f |
[QLD]A:301 |
x,y,z |
1_555 |
12 |
1 |
882 |
69.8 |
1.2 |
0.290 |
1 |
0 |
0 |
0.000 |
17 |
|
A |
7 |
4 |
11199 |
x |
A |
-x+1,-x+y,-z+2/3 |
6_655 |
8 |
4 |
11199 |
69.5 |
1.2 |
0.833 |
0 |
0 |
0 |
0.000 |
18 |
|
[EDO]A:307 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
11199 |
68.8 |
1.5 |
0.268 |
2 |
0 |
0 |
0.000 |
19 |
|
[SO4]A:303 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
11199 |
64.1 |
-7.4 |
0.945 |
3 |
0 |
0 |
0.262 |
20 |
|
[SO4]A:303 |
5 |
1 |
184 |
◊ |
A |
x-y,-y,-z+1/3 |
5_555 |
7 |
4 |
11199 |
64.1 |
-7.3 |
0.945 |
3 |
0 |
0 |
0.262 |
21 |
|
[EDO]A:306 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
11199 |
62.8 |
2.0 |
0.828 |
1 |
0 |
0 |
0.000 |
22 |
|
[EDO]A:304 |
4 |
1 |
183 |
f |
[QLD]A:301 |
x,y,z |
1_555 |
9 |
1 |
882 |
62.3 |
1.2 |
0.282 |
0 |
0 |
0 |
0.000 |
23 |
|
[EDO]A:310 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
11199 |
59.8 |
1.9 |
0.966 |
2 |
0 |
0 |
0.000 |
24 |
|
[EDO]A:315 |
4 |
1 |
185 |
f |
[QLD]A:301 |
x,y,z |
1_555 |
8 |
1 |
882 |
58.8 |
1.3 |
0.834 |
0 |
0 |
0 |
0.000 |
25 |
|
[EDO]A:315 |
4 |
1 |
185 |
◊ |
A |
-y,x-y-1,z-1/3 |
2_544 |
8 |
4 |
11199 |
51.4 |
1.3 |
0.717 |
0 |
0 |
0 |
0.000 |
26 |
|
[EDO]A:304 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
11199 |
38.6 |
0.4 |
0.681 |
0 |
0 |
0 |
0.000 |
27 |
|
[EDO]A:307 |
3 |
1 |
184 |
f |
[QLD]A:301 |
x,y,z |
1_555 |
3 |
1 |
882 |
34.6 |
0.8 |
0.878 |
1 |
0 |
0 |
0.000 |
28 |
|
[EDO]A:307 |
2 |
1 |
184 |
◊ |
A |
-y,x-y-1,z-1/3 |
2_544 |
3 |
1 |
11199 |
31.3 |
0.8 |
0.501 |
0 |
0 |
0 |
0.000 |
29 |
|
[EDO]A:308 |
3 |
1 |
183 |
◊ |
[EDO]A:307 |
x,y,z |
1_555 |
3 |
1 |
184 |
29.7 |
1.1 |
1.000 |
1 |
0 |
0 |
0.000 |
30 |
|
[EDO]A:307 |
4 |
1 |
184 |
f |
[EDO]A:304 |
x,y,z |
1_555 |
3 |
1 |
183 |
27.6 |
1.1 |
1.000 |
1 |
0 |
0 |
0.000 |
31 |
|
[EDO]A:315 |
3 |
1 |
185 |
f |
[EDO]A:304 |
x,y,z |
1_555 |
4 |
1 |
183 |
26.1 |
1.1 |
1.000 |
1 |
0 |
0 |
0.000 |
32 |
|
[EDO]A:308 |
2 |
1 |
183 |
◊ |
[EDO]A:304 |
x,y,z |
1_555 |
1 |
1 |
183 |
22.2 |
0.9 |
0.707 |
0 |
0 |
0 |
0.000 |
33 |
|
[EDO]A:315 |
2 |
1 |
185 |
f |
[EDO]A:310 |
x,y,z |
1_555 |
2 |
1 |
184 |
19.8 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
34 |
|
[EDO]A:316 |
2 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
1 |
1 |
833 |
16.2 |
-0.3 |
0.435 |
0 |
0 |
0 |
0.100 |
35 |
|
[EDO]A:308 |
2 |
1 |
183 |
◊ |
[QLD]A:301 |
x,y,z |
1_555 |
2 |
1 |
882 |
15.4 |
0.6 |
0.886 |
0 |
0 |
0 |
0.000 |
36 |
|
[EDO]A:313 |
2 |
1 |
183 |
f |
[EDO]A:309 |
x,y,z |
1_555 |
2 |
1 |
184 |
13.4 |
0.7 |
1.000 |
0 |
0 |
0 |
0.000 |
37 |
|
[EDO]A:315 |
3 |
1 |
185 |
◊ |
[EDO]A:305 |
-y,x-y-1,z-1/3 |
2_544 |
1 |
1 |
186 |
8.2 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
38 |
|
A |
1 |
1 |
11199 |
◊ |
[SO4]A:302 |
-y,x-y-1,z-1/3 |
2_544 |
2 |
1 |
186 |
5.3 |
-0.7 |
0.533 |
0 |
0 |
0 |
0.000 |
39 |
|
[EDO]A:308 |
1 |
1 |
183 |
f |
A |
-y,x-y-1,z-1/3 |
2_544 |
1 |
1 |
11199 |
2.5 |
0.1 |
0.851 |
0 |
0 |
0 |
0.000 |
40 |
|
[EDO]A:304 |
2 |
1 |
183 |
◊ |
A |
-y,x-y-1,z-1/3 |
2_544 |
1 |
1 |
11199 |
2.4 |
0.1 |
0.851 |
0 |
0 |
0 |
0.000 |
41 |
|
[EDO]A:315 |
1 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
11199 |
1.0 |
0.1 |
0.860 |
0 |
0 |
0 |
0.000 |
|