## |
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 |
106 |
33 |
16135 |
◊ |
A |
-x,y,-z-1 |
2_554 |
106 |
33 |
16135 |
996.5 |
-7.4 |
0.496 |
8 |
0 |
0 |
0.000 |
2 |
2 |
|
B |
75 |
26 |
15308 |
◊ |
A |
x,y,z |
1_555 |
73 |
23 |
16135 |
647.8 |
-6.2 |
0.418 |
1 |
1 |
0 |
0.000 |
3 |
3 |
|
A |
63 |
21 |
16135 |
◊ |
B |
-x+1/2,y-1/2,-z-1 |
4_544 |
69 |
21 |
15308 |
578.4 |
-3.9 |
0.545 |
6 |
0 |
0 |
0.000 |
4 |
4 |
|
[9ES]B:801 |
41 |
1 |
900 |
cf |
B |
x,y,z |
1_555 |
64 |
27 |
15308 |
538.1 |
-11.3 |
0.333 |
3 |
0 |
0 |
0.030 |
5 |
|
[9ES]A:801 |
40 |
1 |
893 |
cf |
A |
x,y,z |
1_555 |
63 |
26 |
16135 |
513.2 |
-11.1 |
0.300 |
2 |
0 |
0 |
0.030 |
Average: |
525.7 |
-11.2 |
0.316 |
3 |
0 |
0 |
0.030 |
5 |
6 |
|
A |
45 |
13 |
16135 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
60 |
19 |
15308 |
489.9 |
-3.2 |
0.542 |
4 |
0 |
0 |
0.000 |
6 |
7 |
|
A |
29 |
11 |
16135 |
◊ |
A |
-x,y,-z |
2_555 |
28 |
10 |
16135 |
332.4 |
-0.4 |
0.687 |
8 |
8 |
0 |
0.000 |
7 |
8 |
|
B |
20 |
8 |
15308 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
24 |
9 |
15308 |
189.7 |
-3.0 |
0.245 |
2 |
0 |
0 |
0.000 |
8 |
9 |
|
A |
12 |
4 |
16135 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
21 |
4 |
15308 |
150.8 |
-2.0 |
0.349 |
1 |
1 |
0 |
0.000 |
9 |
10 |
|
[SO4]B:803 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
15308 |
124.3 |
-20.3 |
0.613 |
1 |
0 |
0 |
0.044 |
10 |
11 |
|
[EDO]A:804 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
16135 |
116.1 |
3.9 |
0.672 |
3 |
0 |
0 |
0.000 |
12 |
|
[EDO]B:804 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
15308 |
114.2 |
3.9 |
0.678 |
3 |
0 |
0 |
0.000 |
Average: |
115.1 |
3.9 |
0.675 |
3 |
0 |
0 |
0.000 |
11 |
13 |
|
[EDO]A:810 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
21 |
10 |
16135 |
111.7 |
3.3 |
0.544 |
4 |
0 |
0 |
0.000 |
12 |
14 |
|
[EDO]B:807 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
15308 |
111.5 |
3.0 |
0.441 |
2 |
0 |
0 |
0.000 |
13 |
15 |
|
[SO4]A:803 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
16135 |
109.6 |
-22.1 |
0.413 |
5 |
0 |
0 |
0.060 |
14 |
16 |
|
[EDO]A:805 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
16135 |
107.8 |
2.0 |
0.389 |
3 |
0 |
0 |
0.000 |
15 |
17 |
|
[SO4]B:802 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
15308 |
107.7 |
-21.9 |
0.373 |
5 |
0 |
0 |
0.051 |
16 |
18 |
|
[EDO]B:805 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
18 |
5 |
15308 |
99.0 |
2.4 |
0.457 |
1 |
0 |
0 |
0.000 |
17 |
19 |
|
[EDO]A:812 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
16135 |
91.5 |
2.5 |
0.467 |
3 |
0 |
0 |
0.000 |
18 |
20 |
|
[EDO]A:806 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
16135 |
91.4 |
2.5 |
0.275 |
5 |
0 |
0 |
0.000 |
19 |
21 |
|
[EDO]B:806 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
15308 |
90.6 |
1.3 |
0.225 |
1 |
0 |
0 |
0.000 |
20 |
22 |
|
[EDO]B:808 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
15308 |
90.3 |
2.5 |
0.294 |
3 |
0 |
0 |
0.000 |
21 |
23 |
|
[EDO]B:809 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
4 |
15308 |
83.6 |
1.7 |
0.259 |
0 |
0 |
0 |
0.000 |
22 |
24 |
|
[EDO]A:807 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
8 |
16135 |
78.1 |
2.2 |
0.306 |
1 |
0 |
0 |
0.000 |
23 |
25 |
|
[EDO]A:811 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
16135 |
77.5 |
1.9 |
0.297 |
2 |
0 |
0 |
0.000 |
24 |
26 |
|
[EDO]A:808 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
16135 |
76.0 |
1.4 |
0.740 |
2 |
0 |
0 |
0.000 |
25 |
27 |
|
[EDO]A:809 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
16135 |
74.9 |
2.4 |
0.944 |
2 |
0 |
0 |
0.000 |
26 |
28 |
|
[SO4]A:802 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
16135 |
74.0 |
-9.4 |
0.810 |
1 |
0 |
0 |
0.024 |
27 |
29 |
|
B |
6 |
3 |
15308 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
8 |
2 |
16135 |
72.5 |
-1.2 |
0.298 |
0 |
0 |
0 |
0.000 |
28 |
30 |
|
[EDO]A:811 |
4 |
1 |
185 |
f |
B |
-x+1/2,y-1/2,-z-1 |
4_544 |
8 |
5 |
15308 |
69.6 |
0.8 |
0.086 |
2 |
0 |
0 |
0.000 |
29 |
31 |
|
A |
11 |
4 |
16135 |
◊ |
[EDO]B:806 |
-x+1/2,y-1/2,-z-1 |
4_544 |
4 |
1 |
185 |
67.9 |
2.1 |
0.316 |
0 |
0 |
0 |
0.000 |
30 |
32 |
|
[EDO]A:806 |
3 |
1 |
183 |
f |
[9ES]A:801 |
x,y,z |
1_555 |
10 |
1 |
893 |
54.2 |
0.4 |
0.221 |
0 |
0 |
0 |
0.000 |
31 |
33 |
|
[SO4]A:802 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
15308 |
41.0 |
-4.1 |
0.967 |
2 |
0 |
0 |
0.000 |
32 |
34 |
|
[EDO]A:807 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
15308 |
40.0 |
1.4 |
0.944 |
1 |
0 |
0 |
0.000 |
33 |
35 |
|
A |
2 |
2 |
16135 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
5 |
2 |
15308 |
39.9 |
-0.5 |
0.207 |
0 |
0 |
0 |
0.000 |
34 |
36 |
|
B |
6 |
2 |
15308 |
x |
B |
-x+1/2,y-1/2,-z-1 |
4_544 |
6 |
2 |
15308 |
37.6 |
-0.1 |
0.575 |
0 |
0 |
0 |
0.000 |
35 |
37 |
|
[EDO]A:812 |
3 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
15308 |
34.9 |
0.6 |
0.655 |
0 |
0 |
0 |
0.000 |
36 |
38 |
|
[EDO]B:807 |
3 |
1 |
186 |
f |
B |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
15308 |
19.2 |
-0.0 |
0.569 |
0 |
0 |
0 |
0.000 |
37 |
39 |
|
[EDO]A:810 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
15308 |
17.1 |
0.3 |
0.729 |
0 |
0 |
0 |
0.000 |
38 |
40 |
|
B |
1 |
1 |
15308 |
◊ |
A |
-x+1/2,y-1/2,-z-1 |
4_544 |
2 |
1 |
16135 |
2.9 |
0.1 |
0.741 |
0 |
0 |
0 |
0.000 |
|