## |
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 |
161 |
48 |
16899 |
◊ |
A |
x,y,z |
1_555 |
159 |
48 |
16786 |
1492.7 |
-6.2 |
0.547 |
13 |
0 |
0 |
0.000 |
2 |
2 |
|
B |
94 |
27 |
16899 |
◊ |
A |
x,y,z-1 |
1_554 |
95 |
27 |
16786 |
853.8 |
-3.4 |
0.542 |
8 |
1 |
0 |
0.000 |
3 |
3 |
|
B |
45 |
14 |
16899 |
◊ |
A |
x-1,y,z-1 |
1_454 |
36 |
10 |
16786 |
357.0 |
-2.8 |
0.401 |
0 |
0 |
0 |
0.000 |
4 |
4 |
|
B |
34 |
11 |
16899 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
33 |
14 |
16786 |
272.3 |
-0.6 |
0.573 |
2 |
3 |
0 |
0.000 |
5 |
5 |
|
A |
32 |
9 |
16786 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
29 |
8 |
16899 |
251.2 |
-1.4 |
0.500 |
1 |
1 |
0 |
0.000 |
6 |
6 |
|
A |
32 |
12 |
16786 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
28 |
7 |
16899 |
250.8 |
-1.0 |
0.521 |
3 |
1 |
0 |
0.000 |
7 |
7 |
|
A |
25 |
10 |
16786 |
◊ |
B |
x-1,y,z |
1_455 |
36 |
15 |
16899 |
236.7 |
2.2 |
0.740 |
2 |
0 |
0 |
0.000 |
8 |
8 |
|
[PGE]B:505 |
10 |
1 |
324 |
◊ |
B |
x,y,z |
1_555 |
32 |
12 |
16899 |
202.3 |
5.3 |
0.419 |
2 |
0 |
0 |
0.000 |
9 |
9 |
|
[PGE]B:504 |
10 |
1 |
334 |
◊ |
B |
x,y,z |
1_555 |
36 |
9 |
16899 |
193.6 |
3.6 |
0.242 |
0 |
0 |
0 |
0.000 |
10 |
|
[PGE]A:507 |
10 |
1 |
330 |
◊ |
A |
x,y,z |
1_555 |
37 |
10 |
16786 |
190.1 |
3.3 |
0.255 |
0 |
0 |
0 |
0.000 |
Average: |
191.8 |
3.4 |
0.248 |
0 |
0 |
0 |
0.000 |
10 |
11 |
|
B |
26 |
12 |
16899 |
x |
B |
x-1,y,z |
1_455 |
19 |
6 |
16899 |
160.5 |
1.7 |
0.825 |
1 |
1 |
0 |
0.000 |
11 |
12 |
|
B |
23 |
6 |
16899 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
14 |
3 |
16899 |
138.8 |
0.9 |
0.714 |
2 |
1 |
0 |
0.000 |
12 |
13 |
|
A |
16 |
6 |
16786 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
5 |
16786 |
113.0 |
-1.2 |
0.418 |
0 |
0 |
0 |
0.000 |
13 |
14 |
|
[EDO]A:506 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
16786 |
82.8 |
3.0 |
0.332 |
1 |
0 |
0 |
0.000 |
14 |
15 |
|
[SO2]A:503 |
3 |
1 |
158 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
16786 |
80.8 |
-0.5 |
0.684 |
2 |
0 |
0 |
0.012 |
15 |
16 |
|
[SO2]A:502 |
3 |
1 |
158 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
16786 |
76.0 |
-0.1 |
0.734 |
1 |
0 |
0 |
0.004 |
16 |
17 |
|
[CL]A:501 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
16786 |
75.6 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.105 |
18 |
|
[CL]B:501 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
16899 |
75.4 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.105 |
Average: |
75.5 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.105 |
17 |
19 |
|
[SO2]B:503 |
3 |
1 |
159 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
16899 |
74.1 |
-0.6 |
0.481 |
2 |
0 |
0 |
0.007 |
18 |
20 |
|
[EDO]A:505 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
16786 |
73.8 |
2.2 |
0.242 |
0 |
0 |
0 |
0.000 |
19 |
21 |
|
B |
6 |
2 |
16899 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
9 |
4 |
16786 |
71.3 |
-0.8 |
0.342 |
0 |
0 |
0 |
0.000 |
20 |
22 |
|
A |
5 |
2 |
16786 |
x |
A |
x-1,y,z |
1_455 |
10 |
4 |
16786 |
71.0 |
-0.0 |
0.615 |
1 |
0 |
0 |
0.000 |
21 |
23 |
|
[CL]B:502 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
16899 |
68.7 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.050 |
22 |
24 |
|
[SO3]A:504 |
4 |
1 |
174 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
16786 |
68.5 |
1.3 |
0.742 |
2 |
0 |
0 |
0.000 |
23 |
25 |
|
B |
9 |
4 |
16899 |
f |
[EDO]A:505 |
x,y,z-1 |
1_554 |
3 |
1 |
184 |
65.8 |
2.2 |
0.293 |
0 |
0 |
0 |
0.000 |
24 |
26 |
|
[PGE]B:505 |
5 |
1 |
324 |
f |
[PGE]B:504 |
x,y,z |
1_555 |
3 |
1 |
334 |
36.3 |
2.1 |
0.142 |
0 |
0 |
0 |
0.000 |
25 |
27 |
|
[PGE]B:505 |
3 |
1 |
324 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
16786 |
35.5 |
0.2 |
0.229 |
0 |
0 |
0 |
0.000 |
26 |
28 |
|
B |
5 |
2 |
16899 |
f |
[EDO]A:506 |
x,y,z-1 |
1_554 |
3 |
1 |
184 |
28.2 |
0.9 |
0.855 |
0 |
0 |
0 |
0.000 |
27 |
29 |
|
[PGE]A:507 |
2 |
1 |
330 |
f |
B |
x,y,z |
1_555 |
3 |
3 |
16899 |
23.4 |
0.3 |
0.335 |
0 |
0 |
0 |
0.000 |
30 |
|
[PGE]B:504 |
1 |
1 |
334 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
16786 |
6.3 |
0.2 |
0.503 |
0 |
0 |
0 |
0.000 |
Average: |
14.9 |
0.2 |
0.419 |
0 |
0 |
0 |
0.000 |
28 |
31 |
|
B |
2 |
2 |
16899 |
◊ |
[SO2]A:503 |
x-1,y,z-1 |
1_454 |
3 |
1 |
158 |
19.2 |
-0.1 |
0.474 |
0 |
0 |
0 |
0.000 |
29 |
32 |
|
B |
2 |
2 |
16899 |
f |
[SO3]A:504 |
x,y,z-1 |
1_554 |
3 |
1 |
174 |
8.6 |
-0.1 |
0.628 |
0 |
0 |
0 |
0.000 |
30 |
33 |
|
[EDO]A:506 |
1 |
1 |
184 |
f |
[SO3]A:504 |
x,y,z |
1_555 |
1 |
1 |
174 |
6.6 |
0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
31 |
34 |
|
[SO2]A:503 |
2 |
1 |
158 |
f |
[SO2]A:502 |
x,y,z |
1_555 |
1 |
1 |
158 |
6.3 |
-0.1 |
0.430 |
0 |
0 |
0 |
0.000 |
|