## |
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 |
|
[FGO]B:505 |
43 |
1 |
791 |
f |
B |
x,y,z |
1_555 |
86 |
31 |
16980 |
572.0 |
3.0 |
0.351 |
9 |
0 |
0 |
0.021 |
2 |
|
[FGO]A:510 |
43 |
1 |
788 |
f |
A |
x,y,z |
1_555 |
85 |
30 |
17088 |
570.3 |
3.2 |
0.379 |
9 |
0 |
0 |
0.021 |
Average: |
571.1 |
3.1 |
0.365 |
9 |
0 |
0 |
0.021 |
2 |
3 |
|
A |
56 |
18 |
17088 |
x |
A |
-x,y-1/2,-z |
2_545 |
54 |
18 |
17088 |
486.2 |
3.4 |
0.853 |
8 |
2 |
0 |
0.000 |
4 |
|
B |
55 |
18 |
16980 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
55 |
19 |
16980 |
479.1 |
3.0 |
0.812 |
7 |
1 |
0 |
0.000 |
Average: |
482.7 |
3.2 |
0.832 |
8 |
2 |
0 |
0.000 |
3 |
5 |
|
A |
39 |
9 |
17088 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
40 |
11 |
17088 |
343.5 |
-0.0 |
0.686 |
4 |
1 |
0 |
0.000 |
6 |
|
B |
40 |
12 |
16980 |
x |
B |
-x+2,y-1/2,-z+1 |
2_746 |
39 |
9 |
16980 |
341.3 |
0.3 |
0.695 |
4 |
1 |
0 |
0.000 |
Average: |
342.4 |
0.1 |
0.691 |
4 |
1 |
0 |
0.000 |
4 |
7 |
|
A |
29 |
9 |
17088 |
x |
A |
x,y-1,z |
1_545 |
16 |
5 |
17088 |
242.2 |
-5.0 |
0.014 |
2 |
2 |
0 |
0.000 |
8 |
|
B |
14 |
5 |
16980 |
x |
B |
x,y-1,z |
1_545 |
23 |
8 |
16980 |
165.8 |
-2.3 |
0.225 |
0 |
3 |
0 |
0.000 |
Average: |
204.0 |
-3.6 |
0.119 |
1 |
3 |
0 |
0.000 |
5 |
9 |
|
[PGE]A:509 |
10 |
1 |
334 |
◊ |
A |
x,y,z |
1_555 |
35 |
12 |
17088 |
191.6 |
4.7 |
0.336 |
3 |
0 |
0 |
0.000 |
6 |
10 |
|
B |
18 |
6 |
16980 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
22 |
6 |
17088 |
156.6 |
-1.9 |
0.381 |
0 |
0 |
0 |
0.000 |
7 |
11 |
|
B |
18 |
6 |
16980 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
6 |
17088 |
151.9 |
-0.9 |
0.504 |
2 |
1 |
0 |
0.000 |
8 |
12 |
|
[PEG]A:506 |
7 |
1 |
260 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
17088 |
144.1 |
4.1 |
0.521 |
2 |
0 |
0 |
0.000 |
9 |
13 |
|
[PGE]A:508 |
9 |
1 |
315 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
17088 |
131.3 |
3.3 |
0.308 |
2 |
0 |
0 |
0.000 |
10 |
14 |
|
[GOL]A:507 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
17088 |
122.7 |
-0.8 |
0.482 |
1 |
0 |
0 |
0.007 |
11 |
15 |
|
[PDO]B:503 |
5 |
1 |
211 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
16980 |
117.9 |
4.7 |
0.457 |
3 |
0 |
0 |
0.000 |
12 |
16 |
|
[GOL]B:504 |
5 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
18 |
8 |
16980 |
99.7 |
0.8 |
0.728 |
2 |
0 |
0 |
0.000 |
13 |
17 |
|
[PO4]A:503 |
5 |
1 |
193 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
17088 |
98.7 |
-4.9 |
0.752 |
3 |
0 |
0 |
0.035 |
14 |
18 |
|
[PO4]B:502 |
5 |
1 |
192 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
16980 |
98.4 |
-5.0 |
0.742 |
3 |
0 |
0 |
0.130 |
15 |
19 |
|
[EDO]A:505 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
17088 |
90.6 |
1.8 |
0.224 |
1 |
0 |
0 |
0.000 |
16 |
20 |
|
[PGE]A:508 |
8 |
1 |
315 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
10 |
3 |
17088 |
75.9 |
1.3 |
0.155 |
2 |
0 |
0 |
0.000 |
17 |
21 |
|
[CL]A:501 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
17088 |
67.9 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.056 |
18 |
22 |
|
B |
7 |
3 |
16980 |
f |
[GOL]B:504 |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
1 |
220 |
57.4 |
0.3 |
0.659 |
2 |
0 |
0 |
0.012 |
19 |
23 |
|
[FGO]A:510 |
12 |
1 |
788 |
f |
[PEG]A:506 |
x,y,z |
1_555 |
3 |
1 |
260 |
56.9 |
1.1 |
0.171 |
1 |
0 |
0 |
0.000 |
20 |
24 |
|
[EDO]A:504 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
17088 |
54.9 |
0.7 |
0.732 |
2 |
0 |
0 |
0.001 |
21 |
25 |
|
[PGE]A:509 |
5 |
1 |
334 |
◊ |
[PGE]A:508 |
x,y,z |
1_555 |
4 |
1 |
315 |
48.5 |
2.0 |
0.100 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
[PO4]B:502 |
4 |
1 |
192 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
5 |
2 |
16980 |
46.7 |
-2.0 |
0.868 |
1 |
0 |
0 |
0.000 |
23 |
27 |
|
A |
5 |
2 |
17088 |
◊ |
[PO4]A:503 |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
193 |
46.6 |
-2.2 |
0.851 |
1 |
0 |
0 |
0.000 |
24 |
28 |
|
[CO2]B:501 |
3 |
1 |
147 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
16980 |
44.0 |
-0.2 |
0.357 |
1 |
0 |
0 |
0.013 |
25 |
29 |
|
[CL]A:502 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
17088 |
37.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.022 |
26 |
30 |
|
B |
5 |
3 |
16980 |
◊ |
[CL]A:502 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
125 |
35.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
[PDO]B:503 |
2 |
1 |
211 |
f |
[FGO]B:505 |
x,y,z |
1_555 |
6 |
1 |
791 |
33.9 |
1.2 |
0.570 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
[FGO]B:505 |
4 |
1 |
791 |
f |
[PO4]B:502 |
x,y,z |
1_555 |
4 |
1 |
192 |
31.4 |
-1.0 |
0.605 |
0 |
0 |
0 |
0.020 |
29 |
33 |
|
[FGO]A:510 |
4 |
1 |
788 |
f |
[PO4]A:503 |
x,y,z |
1_555 |
4 |
1 |
193 |
30.0 |
-1.0 |
0.568 |
0 |
0 |
0 |
0.006 |
30 |
34 |
|
[PGE]A:508 |
2 |
1 |
315 |
f |
[CL]A:501 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.011 |
31 |
35 |
|
[CO2]B:501 |
2 |
1 |
147 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
3 |
1 |
16980 |
18.2 |
0.3 |
0.675 |
0 |
0 |
0 |
0.000 |
32 |
36 |
|
A |
3 |
1 |
17088 |
◊ |
[EDO]A:504 |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
184 |
12.7 |
0.5 |
0.922 |
0 |
0 |
0 |
0.000 |
33 |
37 |
|
[GOL]A:507 |
1 |
1 |
222 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
2 |
2 |
17088 |
8.4 |
0.2 |
0.616 |
0 |
0 |
0 |
0.000 |
34 |
38 |
|
[EDO]A:505 |
1 |
1 |
184 |
f |
[EDO]A:504 |
x,y,z |
1_555 |
1 |
1 |
184 |
1.3 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
35 |
39 |
|
[PGE]A:509 |
1 |
1 |
334 |
f |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
17088 |
0.5 |
-0.0 |
0.239 |
0 |
0 |
0 |
0.000 |
|