## |
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 |
213 |
55 |
8526 |
◊ |
A |
x,y,z |
1_555 |
215 |
55 |
8717 |
2100.2 |
-25.7 |
0.072 |
27 |
3 |
0 |
0.898 |
2 |
2 |
|
B |
53 |
15 |
8526 |
◊ |
A |
y-1,x,-z |
4_455 |
51 |
14 |
8717 |
541.4 |
-3.9 |
0.406 |
4 |
4 |
0 |
0.000 |
3 |
3 |
|
B |
59 |
15 |
8526 |
◊ |
B |
-x,-x+y,-z+2/3 |
5_555 |
58 |
15 |
8526 |
540.8 |
-3.9 |
0.460 |
4 |
4 |
0 |
0.000 |
4 |
|
A |
54 |
14 |
8717 |
◊ |
A |
-x,-x+y,-z+2/3 |
5_555 |
55 |
14 |
8717 |
507.7 |
-3.8 |
0.416 |
2 |
2 |
0 |
0.000 |
Average: |
524.2 |
-3.8 |
0.438 |
3 |
3 |
0 |
0.000 |
4 |
5 |
|
B |
25 |
7 |
8526 |
◊ |
A |
x-y,-y+1,-z+1/3 |
6_565 |
16 |
5 |
8717 |
188.8 |
1.8 |
0.808 |
3 |
1 |
0 |
0.000 |
5 |
6 |
|
[EDO]B:1702 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
8526 |
123.4 |
3.7 |
0.482 |
1 |
0 |
0 |
0.000 |
6 |
7 |
|
[EDO]B:1701 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
8526 |
103.4 |
2.7 |
0.291 |
2 |
0 |
0 |
0.000 |
7 |
8 |
|
[EDO]A:1703 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
8717 |
94.1 |
2.3 |
0.261 |
3 |
0 |
0 |
0.000 |
9 |
|
[EDO]B:1703 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
8526 |
93.2 |
2.3 |
0.265 |
4 |
0 |
0 |
0.000 |
Average: |
93.6 |
2.3 |
0.263 |
4 |
0 |
0 |
0.000 |
8 |
10 |
|
B |
14 |
4 |
8526 |
◊ |
A |
-x,-x+y,-z-1/3 |
5_554 |
6 |
2 |
8717 |
91.8 |
-1.0 |
0.433 |
0 |
0 |
0 |
0.000 |
9 |
11 |
|
B |
7 |
3 |
8526 |
◊ |
A |
-x,-x+y,-z+2/3 |
5_555 |
8 |
3 |
8717 |
79.5 |
2.5 |
0.875 |
0 |
0 |
0 |
0.000 |
10 |
12 |
|
[EDO]B:1704 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
8526 |
68.4 |
1.7 |
0.229 |
2 |
0 |
0 |
0.000 |
11 |
13 |
|
[EDO]B:1705 |
4 |
1 |
178 |
f |
A |
y-1,x,-z |
4_455 |
7 |
3 |
8717 |
64.4 |
1.4 |
0.209 |
1 |
0 |
0 |
0.000 |
12 |
14 |
|
[SO4]A:1701 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
8717 |
62.9 |
-9.1 |
0.675 |
1 |
0 |
0 |
0.224 |
13 |
15 |
|
A |
11 |
4 |
8717 |
◊ |
A |
-x,-x+y,-z-1/3 |
5_554 |
11 |
4 |
8717 |
57.7 |
-0.3 |
0.572 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
[EDO]B:1701 |
4 |
1 |
184 |
◊ |
A |
x-y,-y+1,-z+1/3 |
6_565 |
4 |
2 |
8717 |
52.1 |
2.1 |
0.933 |
0 |
0 |
0 |
0.000 |
15 |
17 |
|
[EDO]B:1704 |
4 |
1 |
186 |
◊ |
[EDO]B:1704 |
x-y,-y,-z+1/3 |
6_555 |
4 |
1 |
186 |
51.3 |
2.3 |
1.000 |
1 |
0 |
0 |
0.000 |
16 |
18 |
|
[SO4]A:1702 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
8717 |
50.6 |
-5.8 |
0.881 |
1 |
0 |
0 |
0.148 |
17 |
19 |
|
[EDO]B:1704 |
4 |
1 |
186 |
f |
B |
x-y,-y,-z+1/3 |
6_555 |
8 |
3 |
8526 |
48.2 |
0.7 |
0.691 |
1 |
0 |
0 |
0.000 |
18 |
20 |
|
[EDO]A:1703 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
8526 |
47.8 |
1.4 |
0.810 |
0 |
0 |
0 |
0.000 |
21 |
|
[EDO]B:1703 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
8717 |
43.8 |
1.4 |
0.809 |
0 |
0 |
0 |
0.000 |
Average: |
45.8 |
1.4 |
0.809 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
B |
4 |
3 |
8526 |
◊ |
B |
x-y,-y,-z+1/3 |
6_555 |
4 |
3 |
8526 |
38.6 |
-0.3 |
0.539 |
1 |
0 |
0 |
0.000 |
20 |
23 |
|
[EDO]A:1704 |
3 |
1 |
184 |
f |
A |
-x,-x+y,-z+2/3 |
5_555 |
3 |
1 |
8717 |
31.5 |
1.1 |
0.930 |
1 |
0 |
0 |
0.000 |
21 |
24 |
|
B |
5 |
2 |
8526 |
◊ |
[EDO]A:1704 |
x-y,-y+1,-z+1/3 |
6_565 |
2 |
1 |
184 |
30.3 |
1.4 |
0.934 |
1 |
0 |
0 |
0.000 |
22 |
25 |
|
[EDO]A:1704 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8717 |
28.2 |
1.3 |
0.977 |
1 |
0 |
0 |
0.000 |
23 |
26 |
|
[EDO]B:1702 |
2 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
8717 |
15.3 |
0.2 |
0.792 |
0 |
0 |
0 |
0.000 |
24 |
27 |
|
[SO4]A:1701 |
2 |
1 |
185 |
◊ |
B |
-x,-x+y,-z+2/3 |
5_555 |
1 |
1 |
8526 |
12.2 |
-1.3 |
0.895 |
0 |
0 |
0 |
0.000 |
25 |
28 |
|
B |
1 |
1 |
8526 |
x |
B |
-y,x-y+1,z-1/3 |
2_564 |
1 |
1 |
8526 |
5.3 |
0.0 |
0.546 |
0 |
0 |
0 |
0.000 |
26 |
29 |
|
[SO4]A:1701 |
2 |
1 |
185 |
◊ |
[SO4]A:1701 |
-x,-x+y,-z+2/3 |
5_555 |
2 |
1 |
185 |
3.8 |
-0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
27 |
30 |
|
[SO4]A:1701 |
1 |
1 |
185 |
◊ |
A |
-x,-x+y,-z+2/3 |
5_555 |
2 |
1 |
8717 |
3.1 |
-0.4 |
0.808 |
0 |
0 |
0 |
0.000 |
|