| ## |
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 |
83 |
21 |
11563 |
◊ |
A |
x-y+1/3,-y+2/3,-z-1/3 |
17_554 |
83 |
21 |
11563 |
815.4 |
-1.1 |
0.656 |
10 |
6 |
0 |
0.078 |
| 2 |
2 |
|
B |
82 |
25 |
11174 |
◊ |
A |
x,y,z |
1_555 |
80 |
26 |
11563 |
775.6 |
-7.6 |
0.208 |
2 |
0 |
0 |
0.111 |
| 3 |
3 |
|
A |
48 |
11 |
11563 |
x |
A |
-y,x-y,z |
2_555 |
38 |
9 |
11563 |
371.6 |
-4.0 |
0.232 |
1 |
0 |
0 |
0.050 |
| 4 |
4 |
|
B |
35 |
10 |
11174 |
◊ |
A |
-y,x-y,z |
2_555 |
41 |
11 |
11563 |
371.5 |
-1.9 |
0.472 |
5 |
1 |
0 |
0.051 |
| 5 |
5 |
|
D |
23 |
3 |
629 |
◊ |
A |
x,y,z |
1_555 |
50 |
18 |
11563 |
345.7 |
-5.0 |
0.370 |
7 |
0 |
0 |
0.249 |
6 |
|
C |
23 |
3 |
646 |
◊ |
B |
x,y,z |
1_555 |
52 |
17 |
11174 |
332.3 |
-4.8 |
0.332 |
5 |
0 |
0 |
0.249 |
| Average: |
339.0 |
-4.9 |
0.351 |
6 |
0 |
0 |
0.249 |
| 6 |
7 |
|
B |
13 |
6 |
11174 |
x |
B |
-y,x-y,z |
2_555 |
20 |
6 |
11174 |
170.7 |
-2.5 |
0.175 |
0 |
0 |
0 |
0.029 |
| 7 |
8 |
|
B |
19 |
9 |
11174 |
◊ |
B |
-x,-x+y,-z-1 |
6_554 |
19 |
9 |
11174 |
143.5 |
-0.6 |
0.499 |
0 |
0 |
0 |
0.004 |
| 8 |
9 |
|
A |
13 |
4 |
11563 |
◊ |
B |
-x+y-1/3,-x+1/3,z+1/3 |
9_455 |
16 |
5 |
11174 |
125.8 |
1.6 |
0.789 |
1 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[SO4]A:301 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
11563 |
103.7 |
-13.9 |
0.929 |
7 |
0 |
0 |
0.428 |
| 10 |
11 |
|
[SO4]B:301 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
11174 |
89.7 |
-11.2 |
0.895 |
4 |
0 |
0 |
0.462 |
| 11 |
12 |
|
A |
9 |
3 |
11563 |
◊ |
D |
-y,x-y,z |
2_555 |
8 |
2 |
629 |
83.7 |
1.1 |
0.814 |
3 |
0 |
0 |
0.003 |
| 12 |
13 |
|
[ACE]D:1 |
3 |
1 |
171 |
cf |
D |
x,y,z |
1_555 |
7 |
2 |
629 |
64.5 |
-0.2 |
0.805 |
1 |
0 |
0 |
0.100 |
| 13 |
14 |
|
C |
6 |
2 |
646 |
◊ |
B |
-x,-x+y,-z-1 |
6_554 |
7 |
3 |
11174 |
63.0 |
-1.2 |
0.310 |
0 |
0 |
0 |
0.013 |
| 14 |
15 |
|
[SO4]A:302 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
11563 |
62.5 |
-6.9 |
0.914 |
3 |
0 |
0 |
0.208 |
| 15 |
16 |
|
[SO4]A:303 |
4 |
1 |
186 |
◊ |
B |
-x+y-1/3,-x+1/3,z+1/3 |
9_455 |
9 |
4 |
11174 |
60.0 |
-7.2 |
0.873 |
1 |
0 |
0 |
0.098 |
| 16 |
17 |
|
[ACE]D:1 |
3 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
11563 |
58.2 |
-0.6 |
0.686 |
0 |
0 |
0 |
0.015 |
| 17 |
18 |
|
[ACE]C:1 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
11174 |
55.4 |
-0.9 |
0.591 |
0 |
0 |
0 |
0.032 |
| 18 |
19 |
|
[ACE]C:1 |
3 |
1 |
172 |
cf |
C |
x,y,z |
1_555 |
5 |
2 |
646 |
54.7 |
-0.3 |
0.776 |
1 |
0 |
0 |
0.100 |
| 19 |
20 |
|
[SO4]A:302 |
4 |
1 |
185 |
◊ |
A |
x-y+1/3,-y+2/3,-z-1/3 |
17_554 |
12 |
5 |
11563 |
54.6 |
-7.4 |
0.706 |
1 |
0 |
0 |
0.191 |
| 20 |
21 |
|
[SO4]B:302 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
11174 |
50.8 |
-5.1 |
0.931 |
3 |
0 |
0 |
0.230 |
| 21 |
22 |
|
[SO4]A:303 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
11563 |
45.8 |
-4.5 |
0.906 |
1 |
0 |
0 |
0.125 |
| 22 |
23 |
|
[ACE]C:1 |
2 |
1 |
172 |
◊ |
B |
-x,-x+y,-z-1 |
6_554 |
4 |
2 |
11174 |
24.5 |
-0.7 |
0.487 |
0 |
0 |
0 |
0.008 |
| 23 |
24 |
|
[ACE]C:1 |
1 |
1 |
172 |
◊ |
[ACE]C:1 |
-x,-x+y,-z-1 |
6_554 |
1 |
1 |
172 |
24.2 |
-0.8 |
0.667 |
0 |
0 |
0 |
0.004 |
| 24 |
25 |
|
A |
2 |
1 |
11563 |
◊ |
[SO4]B:301 |
-x+y-1/3,-x+1/3,z+1/3 |
9_455 |
2 |
1 |
185 |
22.3 |
-2.2 |
0.940 |
1 |
0 |
0 |
0.034 |
| 25 |
26 |
|
B |
3 |
2 |
11174 |
◊ |
B |
y-1/3,x+1/3,-z-2/3 |
10_454 |
3 |
2 |
11174 |
14.5 |
0.9 |
0.880 |
0 |
0 |
0 |
0.000 |
| 26 |
27 |
|
B |
1 |
1 |
11174 |
◊ |
A |
x-y+1/3,-y+2/3,-z-1/3 |
17_554 |
2 |
1 |
11563 |
8.1 |
0.2 |
0.615 |
0 |
0 |
0 |
0.000 |
| 27 |
28 |
|
[ACE]C:1 |
1 |
1 |
172 |
◊ |
C |
-x,-x+y,-z-1 |
6_554 |
1 |
1 |
646 |
5.7 |
-0.0 |
0.698 |
0 |
0 |
0 |
0.000 |
| 28 |
29 |
|
[SO4]A:303 |
1 |
1 |
186 |
◊ |
[SO4]B:301 |
-x+y-1/3,-x+1/3,z+1/3 |
9_455 |
1 |
1 |
185 |
5.2 |
-1.3 |
0.800 |
0 |
0 |
0 |
0.016 |
|