## |
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 |
|
B |
77 |
26 |
7750 |
◊ |
A |
x,y,z |
1_555 |
78 |
26 |
7875 |
701.1 |
-0.5 |
0.818 |
2 |
7 |
0 |
0.000 |
2 |
|
B |
44 |
13 |
7750 |
◊ |
B |
x,x-y,-z+1/6 |
9_555 |
44 |
13 |
7750 |
412.4 |
-0.7 |
0.673 |
11 |
0 |
0 |
0.061 |
3 |
|
A |
27 |
9 |
7875 |
◊ |
A |
x-y,-y,-z |
8_555 |
27 |
9 |
7875 |
299.8 |
-2.3 |
0.469 |
5 |
0 |
0 |
0.000 |
4 |
|
B |
35 |
11 |
7750 |
◊ |
A |
x,x-y-1,-z+1/6 |
9_545 |
27 |
9 |
7875 |
277.8 |
-3.6 |
0.322 |
4 |
0 |
0 |
0.000 |
5 |
|
A |
25 |
8 |
7875 |
◊ |
A |
x,x-y-1,-z+1/6 |
9_545 |
24 |
8 |
7875 |
256.3 |
-5.9 |
0.089 |
0 |
0 |
0 |
0.000 |
6 |
|
B |
28 |
9 |
7750 |
◊ |
A |
x-y,x,z+1/6 |
2_555 |
28 |
12 |
7875 |
247.4 |
-3.4 |
0.317 |
2 |
0 |
0 |
0.000 |
7 |
|
B |
25 |
7 |
7750 |
◊ |
A |
x,x-y,-z+1/6 |
9_555 |
24 |
6 |
7875 |
214.6 |
-1.7 |
0.499 |
4 |
0 |
0 |
0.000 |
8 |
|
B |
15 |
5 |
7750 |
◊ |
B |
x-y,-y,-z |
8_555 |
15 |
5 |
7750 |
135.3 |
0.3 |
0.711 |
5 |
0 |
0 |
0.000 |
9 |
|
B |
16 |
5 |
7750 |
◊ |
B |
x,x-y-1,-z+1/6 |
9_545 |
16 |
5 |
7750 |
126.3 |
-0.3 |
0.620 |
4 |
0 |
0 |
0.000 |
10 |
|
B |
15 |
6 |
7750 |
◊ |
A |
x-y,-y,-z |
8_555 |
15 |
3 |
7875 |
117.9 |
-0.3 |
0.625 |
3 |
0 |
0 |
0.000 |
11 |
|
[PEG]B:208 |
7 |
1 |
255 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
7750 |
112.3 |
2.1 |
0.368 |
0 |
0 |
0 |
0.000 |
12 |
|
[PEG]A:208 |
6 |
1 |
256 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
7750 |
111.8 |
2.8 |
0.426 |
1 |
0 |
0 |
0.000 |
13 |
|
[SO4]B:204 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
7750 |
110.5 |
-16.5 |
0.771 |
1 |
0 |
0 |
0.371 |
14 |
|
[PEG]A:208 |
6 |
1 |
256 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
7875 |
105.8 |
2.5 |
0.382 |
0 |
0 |
0 |
0.000 |
15 |
|
[SO4]A:202 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
7875 |
105.7 |
-16.5 |
0.791 |
0 |
0 |
0 |
0.038 |
16 |
|
[EDO]A:206 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
7875 |
104.0 |
2.0 |
0.415 |
1 |
0 |
0 |
0.000 |
17 |
|
[PEG]A:204 |
6 |
1 |
257 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
7875 |
101.7 |
1.1 |
0.248 |
3 |
0 |
0 |
0.000 |
18 |
|
[EDO]B:206 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
7750 |
101.1 |
3.5 |
0.532 |
1 |
0 |
0 |
0.000 |
19 |
|
[SO4]A:203 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
7875 |
98.2 |
-15.4 |
0.738 |
1 |
0 |
0 |
0.037 |
20 |
|
[EDO]B:205 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
7750 |
95.2 |
3.2 |
0.519 |
2 |
0 |
0 |
0.000 |
21 |
|
[DMS]B:207 |
3 |
1 |
212 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
7750 |
89.3 |
2.7 |
0.464 |
1 |
0 |
0 |
0.000 |
22 |
|
[GOL]A:205 |
6 |
1 |
222 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
7875 |
88.8 |
-0.6 |
0.483 |
0 |
0 |
0 |
0.000 |
23 |
|
[PEG]A:204 |
6 |
1 |
257 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
7750 |
81.6 |
2.0 |
0.309 |
0 |
0 |
0 |
0.000 |
24 |
|
[PEG]B:203 |
7 |
1 |
265 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
7875 |
81.0 |
2.5 |
0.428 |
1 |
0 |
0 |
0.000 |
25 |
|
[SO4]B:202 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
7750 |
80.6 |
-10.3 |
0.839 |
3 |
0 |
0 |
0.256 |
26 |
|
[PEG]B:203 |
7 |
1 |
265 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
7750 |
79.8 |
2.5 |
0.423 |
1 |
0 |
0 |
0.000 |
27 |
|
[EDO]A:207 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
7875 |
73.2 |
1.9 |
0.241 |
1 |
0 |
0 |
0.000 |
28 |
|
[SO4]B:201 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
7750 |
62.7 |
-8.7 |
0.784 |
2 |
0 |
0 |
0.209 |
29 |
|
[DMS]B:207 |
4 |
1 |
212 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
7875 |
61.8 |
-0.3 |
0.264 |
0 |
0 |
0 |
0.000 |
30 |
|
[SO4]A:201 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
7875 |
61.0 |
-8.4 |
0.793 |
2 |
0 |
0 |
0.022 |
31 |
|
B |
10 |
4 |
7750 |
f |
[GOL]A:205 |
x-y,x,z+1/6 |
2_555 |
5 |
1 |
222 |
60.6 |
-0.3 |
0.516 |
1 |
0 |
0 |
0.016 |
32 |
|
[EDO]A:207 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
7750 |
54.3 |
0.3 |
0.574 |
0 |
0 |
0 |
0.000 |
33 |
|
[PEG]B:208 |
6 |
1 |
255 |
◊ |
[PEG]B:208 |
x,x-y,-z+1/6 |
9_555 |
6 |
1 |
255 |
46.4 |
1.9 |
0.072 |
0 |
0 |
0 |
0.000 |
34 |
|
[SO4]B:201 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
7875 |
46.2 |
-6.5 |
0.640 |
0 |
0 |
0 |
0.000 |
35 |
|
[SO4]A:201 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
7750 |
44.3 |
-6.2 |
0.648 |
0 |
0 |
0 |
0.000 |
36 |
|
[SO4]B:202 |
3 |
1 |
185 |
◊ |
B |
x,x-y,-z+1/6 |
9_555 |
10 |
6 |
7750 |
39.4 |
-5.0 |
0.770 |
0 |
0 |
0 |
0.110 |
37 |
|
[PEG]B:203 |
4 |
1 |
265 |
f |
[SO4]B:201 |
x,y,z |
1_555 |
3 |
1 |
184 |
34.5 |
-3.4 |
0.380 |
0 |
0 |
0 |
0.075 |
38 |
|
[PEG]A:204 |
2 |
1 |
257 |
f |
[SO4]A:201 |
x,y,z |
1_555 |
4 |
1 |
187 |
33.9 |
-2.1 |
0.589 |
1 |
0 |
0 |
0.006 |
39 |
|
[PEG]B:203 |
4 |
1 |
265 |
◊ |
[SO4]A:201 |
x,y,z |
1_555 |
3 |
1 |
187 |
33.6 |
-3.0 |
0.458 |
0 |
0 |
0 |
0.000 |
40 |
|
[DMS]B:207 |
3 |
1 |
212 |
◊ |
A |
x-y,-y,-z |
8_555 |
3 |
1 |
7875 |
33.6 |
0.2 |
0.266 |
0 |
0 |
0 |
0.000 |
41 |
|
[PEG]B:208 |
4 |
1 |
255 |
◊ |
B |
x,x-y,-z+1/6 |
9_555 |
7 |
4 |
7750 |
31.5 |
0.0 |
0.182 |
2 |
0 |
0 |
0.019 |
42 |
|
[PEG]B:208 |
4 |
1 |
255 |
f |
[SO4]B:202 |
x,y,z |
1_555 |
4 |
1 |
185 |
28.9 |
-2.7 |
0.362 |
0 |
0 |
0 |
0.058 |
43 |
|
[EDO]A:207 |
3 |
1 |
185 |
f |
[SO4]B:201 |
x,y,z |
1_555 |
3 |
1 |
184 |
25.5 |
-2.0 |
0.996 |
2 |
0 |
0 |
0.062 |
44 |
|
[PEG]B:208 |
3 |
1 |
255 |
◊ |
[SO4]B:202 |
x,x-y,-z+1/6 |
9_555 |
3 |
1 |
185 |
17.0 |
-1.8 |
0.327 |
1 |
0 |
0 |
0.050 |
|