| ## |
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 |
|
A |
55 |
18 |
16925 |
x |
A |
-x,y-1/2,-z |
2_545 |
59 |
18 |
16925 |
529.4 |
3.3 |
0.808 |
8 |
4 |
0 |
0.000 |
2 |
|
B |
55 |
16 |
17067 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
51 |
17 |
17067 |
496.0 |
2.7 |
0.784 |
7 |
4 |
0 |
0.000 |
| Average: |
512.7 |
3.0 |
0.796 |
8 |
4 |
0 |
0.000 |
| 2 |
3 |
|
[FGO]B:506 |
41 |
1 |
796 |
f |
B |
x,y,z |
1_555 |
74 |
32 |
17067 |
505.8 |
1.8 |
0.288 |
10 |
0 |
0 |
0.062 |
4 |
|
[FGO]A:505 |
41 |
1 |
795 |
f |
A |
x,y,z |
1_555 |
71 |
31 |
16925 |
501.1 |
2.0 |
0.280 |
10 |
0 |
0 |
0.062 |
| Average: |
503.5 |
1.9 |
0.284 |
10 |
0 |
0 |
0.062 |
| 3 |
5 |
|
B |
41 |
12 |
17067 |
x |
B |
-x+2,y-1/2,-z+1 |
2_746 |
44 |
10 |
17067 |
378.4 |
0.7 |
0.715 |
5 |
1 |
0 |
0.000 |
6 |
|
A |
42 |
11 |
16925 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
40 |
12 |
16925 |
360.2 |
1.3 |
0.737 |
5 |
1 |
0 |
0.000 |
| Average: |
369.3 |
1.0 |
0.726 |
5 |
1 |
0 |
0.000 |
| 4 |
7 |
|
B |
36 |
13 |
17067 |
◊ |
A |
x,y,z |
1_555 |
33 |
11 |
16925 |
280.4 |
-2.4 |
0.391 |
1 |
0 |
0 |
0.000 |
| 5 |
8 |
|
A |
28 |
9 |
16925 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
24 |
9 |
17067 |
206.1 |
0.7 |
0.721 |
2 |
0 |
0 |
0.000 |
| 6 |
9 |
|
B |
20 |
3 |
17067 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
19 |
6 |
16925 |
163.1 |
0.1 |
0.661 |
1 |
0 |
0 |
0.000 |
| 7 |
10 |
|
B |
17 |
5 |
17067 |
x |
B |
x,y-1,z |
1_545 |
24 |
7 |
17067 |
159.0 |
-2.9 |
0.132 |
0 |
1 |
0 |
0.000 |
11 |
|
A |
20 |
7 |
16925 |
x |
A |
x,y-1,z |
1_545 |
13 |
5 |
16925 |
156.9 |
-2.1 |
0.179 |
1 |
3 |
0 |
0.000 |
| Average: |
157.9 |
-2.5 |
0.156 |
1 |
2 |
0 |
0.000 |
| 8 |
12 |
|
[GOL]B:505 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
17067 |
124.7 |
-0.0 |
0.582 |
7 |
0 |
0 |
0.041 |
| 9 |
13 |
|
[PEG]A:504 |
6 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
16925 |
90.2 |
3.0 |
0.402 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[PO2]A:503 |
3 |
1 |
170 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
16925 |
85.0 |
0.8 |
0.632 |
0 |
0 |
0 |
0.000 |
| 11 |
15 |
|
B |
9 |
2 |
17067 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
15 |
3 |
16925 |
84.0 |
-1.2 |
0.399 |
0 |
0 |
0 |
0.000 |
| 12 |
16 |
|
A |
7 |
4 |
16925 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
4 |
17067 |
80.9 |
0.8 |
0.794 |
0 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[CO2]B:502 |
3 |
1 |
147 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
17067 |
77.8 |
0.3 |
0.439 |
2 |
0 |
0 |
0.008 |
| 14 |
18 |
|
[EDO]B:504 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
17067 |
77.6 |
2.6 |
0.497 |
2 |
0 |
0 |
0.000 |
| 15 |
19 |
|
[CL]A:501 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
16925 |
72.3 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.268 |
| 16 |
20 |
|
[EDO]B:504 |
4 |
1 |
184 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
3 |
17067 |
55.6 |
2.0 |
0.936 |
1 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[FGO]A:505 |
8 |
1 |
795 |
f |
[CO2]A:502 |
x,y,z |
1_555 |
3 |
1 |
146 |
52.8 |
1.1 |
0.483 |
0 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[CO3]B:503 |
4 |
1 |
163 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
17067 |
51.2 |
0.2 |
0.590 |
0 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[CO2]A:502 |
3 |
1 |
146 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
16925 |
48.0 |
0.4 |
0.722 |
0 |
0 |
0 |
0.000 |
| 20 |
24 |
|
[FGO]A:505 |
7 |
1 |
795 |
f |
[PEG]A:504 |
x,y,z |
1_555 |
3 |
1 |
258 |
46.6 |
1.4 |
0.253 |
0 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[PEG]A:504 |
3 |
1 |
258 |
f |
[CO2]A:502 |
x,y,z |
1_555 |
2 |
1 |
146 |
32.8 |
1.1 |
0.386 |
0 |
0 |
0 |
0.000 |
| 22 |
26 |
|
B |
3 |
2 |
17067 |
◊ |
[GOL]B:505 |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
221 |
30.8 |
-1.0 |
0.176 |
0 |
0 |
0 |
0.000 |
| 23 |
27 |
|
[CL]B:501 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
17067 |
29.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.043 |
| 24 |
28 |
|
[CL]B:501 |
1 |
1 |
125 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
2 |
1 |
17067 |
29.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 25 |
29 |
|
[FGO]A:505 |
3 |
1 |
795 |
f |
[PO2]A:503 |
x,y,z |
1_555 |
2 |
1 |
170 |
28.3 |
1.0 |
0.686 |
0 |
0 |
0 |
0.000 |
| 26 |
30 |
|
[PEG]A:504 |
2 |
1 |
258 |
f |
[PO2]A:503 |
x,y,z |
1_555 |
1 |
1 |
170 |
25.6 |
0.4 |
0.261 |
0 |
0 |
0 |
0.000 |
| 27 |
31 |
|
[EDO]B:504 |
2 |
1 |
184 |
◊ |
[GOL]B:505 |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
221 |
24.4 |
0.3 |
0.764 |
0 |
0 |
0 |
0.000 |
| 28 |
32 |
|
[CL]A:501 |
1 |
1 |
125 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
2 |
1 |
16925 |
19.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 29 |
33 |
|
[PO2]A:503 |
1 |
1 |
170 |
f |
[CO2]A:502 |
x,y,z |
1_555 |
1 |
1 |
146 |
7.0 |
0.3 |
0.577 |
0 |
0 |
0 |
0.000 |
| 30 |
34 |
|
A |
1 |
1 |
16925 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
17067 |
5.2 |
0.1 |
0.799 |
0 |
0 |
0 |
0.000 |
|