## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
B |
180 |
54 |
16928 |
◊ |
A |
x,y,z |
1_555 |
183 |
51 |
16815 |
1646.5 |
-7.2 |
0.496 |
20 |
1 |
0 |
0.395 |
2 |
2 |
|
B |
90 |
29 |
16928 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
82 |
24 |
16815 |
777.6 |
-0.8 |
0.676 |
7 |
0 |
0 |
0.000 |
3 |
3 |
|
A |
48 |
14 |
16815 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
40 |
11 |
16815 |
429.1 |
-3.4 |
0.357 |
1 |
0 |
0 |
0.000 |
4 |
4 |
|
A |
44 |
11 |
16815 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
43 |
10 |
16928 |
362.4 |
-0.5 |
0.635 |
2 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
45 |
15 |
16928 |
◊ |
A |
x-1,y,z |
1_455 |
38 |
15 |
16815 |
356.9 |
0.2 |
0.668 |
1 |
1 |
0 |
0.000 |
6 |
6 |
|
B |
29 |
10 |
16928 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
36 |
10 |
16815 |
261.9 |
0.9 |
0.750 |
1 |
0 |
0 |
0.000 |
7 |
7 |
|
[GLC]D:1 |
12 |
1 |
302 |
f |
B |
x,y,z |
1_555 |
40 |
16 |
16928 |
201.9 |
2.4 |
0.453 |
1 |
0 |
0 |
0.000 |
8 |
|
[GLC]C:1 |
12 |
1 |
303 |
f |
A |
x,y,z |
1_555 |
42 |
16 |
16815 |
200.7 |
2.9 |
0.483 |
2 |
0 |
0 |
0.000 |
Average: |
201.3 |
2.7 |
0.468 |
2 |
0 |
0 |
0.000 |
8 |
9 |
|
B |
14 |
4 |
16928 |
x |
B |
-x-1/2,-y,z-1/2 |
2_454 |
15 |
6 |
16928 |
162.5 |
0.7 |
0.576 |
1 |
0 |
0 |
0.000 |
9 |
10 |
|
[BGC]C:2 |
11 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
32 |
15 |
16815 |
161.7 |
2.3 |
0.426 |
10 |
0 |
0 |
0.093 |
11 |
|
[BGC]D:2 |
11 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
34 |
15 |
16928 |
161.3 |
2.3 |
0.405 |
9 |
0 |
0 |
0.093 |
Average: |
161.5 |
2.3 |
0.416 |
10 |
0 |
0 |
0.093 |
10 |
12 |
|
A |
17 |
6 |
16815 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
23 |
7 |
16928 |
150.4 |
-0.7 |
0.539 |
1 |
0 |
0 |
0.000 |
11 |
13 |
|
[EDO]B:504 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
16928 |
111.7 |
4.3 |
0.730 |
3 |
0 |
0 |
0.000 |
12 |
14 |
|
[PEG]A:505 |
6 |
1 |
253 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
16815 |
98.1 |
1.1 |
0.224 |
1 |
0 |
0 |
0.000 |
13 |
15 |
|
[EDO]B:505 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
16928 |
83.1 |
2.5 |
0.468 |
1 |
0 |
0 |
0.000 |
14 |
16 |
|
A |
9 |
2 |
16815 |
x |
A |
x-1,y,z |
1_455 |
12 |
3 |
16815 |
81.7 |
-0.6 |
0.504 |
1 |
1 |
0 |
0.000 |
15 |
17 |
|
[EDO]B:503 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
16928 |
78.2 |
1.9 |
0.248 |
1 |
0 |
0 |
0.000 |
16 |
18 |
|
[CL]B:501 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
16928 |
76.1 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.580 |
19 |
|
[CL]A:501 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
16815 |
76.0 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.580 |
Average: |
76.0 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.580 |
17 |
20 |
|
[EDO]B:503 |
4 |
1 |
184 |
f |
A |
x-1,y,z |
1_455 |
11 |
7 |
16815 |
74.4 |
2.0 |
0.862 |
2 |
0 |
0 |
0.000 |
18 |
21 |
|
[SO3]A:503 |
4 |
1 |
173 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
16815 |
72.3 |
-0.7 |
0.297 |
2 |
0 |
0 |
0.038 |
19 |
22 |
|
[CL]A:502 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
16815 |
69.4 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.203 |
20 |
23 |
|
[EDO]A:504 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
16815 |
68.9 |
2.3 |
0.906 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
[EDO]B:505 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
16815 |
67.2 |
1.3 |
0.264 |
1 |
0 |
0 |
0.000 |
22 |
25 |
|
[SO2]B:502 |
3 |
1 |
157 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
16928 |
61.4 |
-0.6 |
0.620 |
2 |
0 |
0 |
0.037 |
23 |
26 |
|
[BGC]D:2 |
6 |
1 |
292 |
cf |
[GLC]D:1 |
x,y,z |
1_555 |
5 |
1 |
302 |
57.7 |
1.1 |
0.167 |
0 |
0 |
0 |
0.000 |
27 |
|
[BGC]C:2 |
7 |
1 |
294 |
cf |
[GLC]C:1 |
x,y,z |
1_555 |
5 |
1 |
303 |
57.3 |
1.1 |
0.137 |
0 |
0 |
0 |
0.000 |
Average: |
57.5 |
1.1 |
0.152 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
[SO2]B:502 |
2 |
1 |
157 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
5 |
2 |
16815 |
31.6 |
-1.1 |
0.597 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
B |
3 |
2 |
16928 |
f |
[EDO]A:504 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
183 |
29.3 |
1.5 |
0.960 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
B |
3 |
1 |
16928 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
16928 |
19.8 |
1.3 |
0.940 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
B |
2 |
1 |
16928 |
x |
B |
x-1,y,z |
1_455 |
2 |
1 |
16928 |
17.8 |
0.5 |
0.566 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
[CL]A:502 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
16928 |
7.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.016 |
29 |
33 |
|
[SO3]A:503 |
2 |
1 |
173 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
16928 |
5.1 |
0.1 |
0.558 |
0 |
0 |
0 |
0.000 |
30 |
34 |
|
A |
1 |
1 |
16815 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
16928 |
2.9 |
-0.1 |
0.377 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
[PEG]A:505 |
1 |
1 |
253 |
f |
B |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
16928 |
2.3 |
0.1 |
0.335 |
0 |
0 |
0 |
0.000 |
|