## |
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 |
58 |
19 |
18340 |
◊ |
A |
-x+1,y,-z+1/2 |
4_655 |
58 |
19 |
18340 |
522.9 |
0.8 |
0.536 |
0 |
0 |
0 |
0.000 |
2 |
|
A |
38 |
13 |
18340 |
◊ |
A |
x,-y,-z+1 |
3_556 |
38 |
13 |
18340 |
426.7 |
5.9 |
0.902 |
10 |
8 |
0 |
0.000 |
3 |
|
A |
30 |
10 |
18340 |
x |
A |
-x+1/2,y-1/2,-z+1/2 |
8_545 |
33 |
11 |
18340 |
282.6 |
-1.3 |
0.326 |
3 |
0 |
0 |
0.000 |
4 |
|
A |
27 |
9 |
18340 |
x |
A |
x-1/2,-y+1/2,-z+1 |
7_456 |
30 |
9 |
18340 |
255.8 |
0.3 |
0.488 |
2 |
0 |
0 |
0.000 |
5 |
|
A |
23 |
8 |
18340 |
x |
A |
x-1/2,y+1/2,z |
5_455 |
18 |
5 |
18340 |
171.3 |
1.5 |
0.690 |
5 |
0 |
0 |
0.000 |
6 |
|
[PEG]A:510 |
7 |
1 |
260 |
f |
A |
x,y,z |
1_555 |
26 |
8 |
18340 |
136.8 |
4.6 |
0.432 |
1 |
0 |
0 |
0.000 |
7 |
|
[PEG]A:511 |
7 |
1 |
256 |
f |
A |
x,y,z |
1_555 |
21 |
6 |
18340 |
131.7 |
2.4 |
0.235 |
0 |
0 |
0 |
0.000 |
8 |
|
[EDO]A:501 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
18340 |
118.3 |
3.5 |
0.406 |
2 |
0 |
0 |
0.000 |
9 |
|
[PEG]A:512 |
7 |
1 |
247 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
18340 |
117.4 |
2.1 |
0.217 |
4 |
0 |
0 |
0.000 |
10 |
|
[EDO]A:505 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
18340 |
102.1 |
3.1 |
0.417 |
8 |
0 |
0 |
0.008 |
11 |
|
[EDO]A:503 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
18340 |
95.5 |
2.7 |
0.282 |
5 |
0 |
0 |
0.000 |
12 |
|
[EDO]A:508 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
18340 |
93.3 |
3.3 |
0.469 |
1 |
0 |
0 |
0.000 |
13 |
|
[EDO]A:502 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
18340 |
91.0 |
3.0 |
0.409 |
2 |
0 |
0 |
0.000 |
14 |
|
[SO4]A:518 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
18340 |
90.0 |
-11.5 |
0.694 |
1 |
0 |
0 |
0.195 |
15 |
|
[SO4]A:517 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
18340 |
88.4 |
-11.6 |
0.652 |
1 |
0 |
0 |
0.198 |
16 |
|
[EDO]A:504 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
18340 |
86.9 |
3.0 |
0.462 |
0 |
0 |
0 |
0.000 |
17 |
|
[EDO]A:506 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
18340 |
86.7 |
3.3 |
0.381 |
1 |
0 |
0 |
0.000 |
18 |
|
[SO4]A:514 |
5 |
1 |
181 |
f |
A |
x-1/2,-y+1/2,-z+1 |
7_456 |
12 |
7 |
18340 |
82.4 |
-10.7 |
0.831 |
4 |
0 |
0 |
0.204 |
19 |
|
[SO4]A:513 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
18340 |
77.4 |
-9.2 |
0.942 |
4 |
0 |
0 |
0.180 |
20 |
|
[EDO]A:507 |
4 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
18340 |
76.3 |
1.3 |
0.596 |
1 |
0 |
0 |
0.000 |
21 |
|
[SO4]A:516 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
18340 |
75.2 |
-9.1 |
0.897 |
3 |
0 |
0 |
0.170 |
22 |
|
[CL]A:519 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
18340 |
73.7 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.180 |
23 |
|
[EDO]A:509 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
18340 |
71.9 |
1.4 |
0.663 |
3 |
0 |
0 |
0.000 |
24 |
|
[SO4]A:514 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
18340 |
54.9 |
-7.2 |
0.658 |
0 |
0 |
0 |
0.000 |
25 |
|
A |
7 |
4 |
18340 |
◊ |
A |
-x,y,-z+1/2 |
4_555 |
6 |
3 |
18340 |
53.5 |
0.4 |
0.655 |
0 |
0 |
0 |
0.000 |
26 |
|
A |
7 |
4 |
18340 |
f |
[EDO]A:504 |
x-1/2,y+1/2,z |
5_455 |
4 |
1 |
185 |
52.5 |
0.9 |
0.735 |
1 |
0 |
0 |
0.000 |
27 |
|
[SO4]A:515 |
5 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
18340 |
49.3 |
-4.8 |
0.940 |
1 |
0 |
0 |
0.086 |
28 |
|
[EDO]A:502 |
3 |
1 |
187 |
f |
A |
x-1/2,y+1/2,z |
5_455 |
5 |
2 |
18340 |
48.1 |
0.6 |
0.633 |
0 |
0 |
0 |
0.000 |
29 |
|
[SO4]A:515 |
3 |
1 |
182 |
◊ |
A |
x-1/2,y+1/2,z |
5_455 |
4 |
3 |
18340 |
38.0 |
-4.4 |
0.868 |
1 |
0 |
0 |
0.000 |
30 |
|
[EDO]A:503 |
2 |
1 |
188 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
7_456 |
4 |
1 |
18340 |
33.9 |
1.1 |
0.486 |
0 |
0 |
0 |
0.000 |
31 |
|
[SO4]A:518 |
3 |
1 |
186 |
◊ |
[EDO]A:508 |
x,y,z |
1_555 |
4 |
1 |
186 |
29.6 |
-3.3 |
0.996 |
1 |
0 |
0 |
0.061 |
32 |
|
[SO4]A:518 |
2 |
1 |
186 |
◊ |
A |
x,-y,-z+1 |
3_556 |
2 |
1 |
18340 |
14.7 |
-1.4 |
0.915 |
0 |
0 |
0 |
0.000 |
33 |
|
[SO4]A:518 |
1 |
1 |
186 |
◊ |
[SO4]A:518 |
x,-y,-z+1 |
3_556 |
1 |
1 |
186 |
9.2 |
-2.2 |
0.800 |
0 |
0 |
0 |
0.000 |
34 |
|
[SO4]A:514 |
3 |
1 |
181 |
◊ |
[EDO]A:508 |
x-1/2,-y+1/2,-z+1 |
7_456 |
2 |
1 |
186 |
7.2 |
-0.5 |
0.996 |
0 |
0 |
0 |
0.007 |
|