| ## |
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 |
123 |
31 |
11945 |
◊ |
B |
-x-1,-y,z |
4_455 |
122 |
31 |
11945 |
1182.7 |
-24.4 |
0.001 |
10 |
8 |
0 |
0.209 |
2 |
|
A |
121 |
29 |
12033 |
◊ |
A |
-x,-y+1,z |
4_565 |
120 |
29 |
12033 |
1164.8 |
-25.8 |
0.000 |
10 |
8 |
0 |
0.209 |
| Average: |
1173.7 |
-25.1 |
0.001 |
10 |
8 |
0 |
0.209 |
| 2 |
3 |
|
B |
66 |
17 |
11945 |
◊ |
A |
x-y,x,z+1/3 |
2_555 |
59 |
16 |
12033 |
578.3 |
-4.3 |
0.363 |
5 |
2 |
0 |
0.004 |
| 3 |
4 |
|
A |
44 |
16 |
12033 |
◊ |
A |
-x+y,y,-z |
11_555 |
45 |
16 |
12033 |
367.5 |
-5.7 |
0.179 |
0 |
0 |
0 |
0.000 |
| 4 |
5 |
|
B |
37 |
12 |
11945 |
◊ |
A |
x,y,z |
1_555 |
35 |
12 |
12033 |
295.9 |
-2.7 |
0.373 |
4 |
2 |
0 |
0.000 |
| 5 |
6 |
|
[6DH]A:307 |
15 |
1 |
411 |
f |
A |
x,y,z |
1_555 |
30 |
8 |
12033 |
192.0 |
-1.6 |
0.395 |
3 |
0 |
0 |
0.031 |
| 6 |
7 |
|
B |
28 |
8 |
11945 |
◊ |
A |
-x,-x+y,-z+1/3 |
12_555 |
15 |
4 |
12033 |
170.4 |
-2.6 |
0.231 |
0 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[6DH]B:306 |
15 |
1 |
399 |
◊ |
B |
x,y,z |
1_555 |
22 |
8 |
11945 |
134.7 |
-0.2 |
0.487 |
0 |
0 |
0 |
0.007 |
9 |
|
[6DH]A:308 |
14 |
1 |
400 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
12033 |
134.2 |
-0.7 |
0.386 |
0 |
0 |
0 |
0.007 |
| Average: |
134.5 |
-0.4 |
0.437 |
0 |
0 |
0 |
0.007 |
| 8 |
10 |
|
[6DH]B:306 |
17 |
1 |
399 |
◊ |
[6DH]B:306 |
-x-1,-y,z |
4_455 |
17 |
1 |
399 |
126.1 |
0.4 |
0.588 |
0 |
0 |
0 |
0.000 |
11 |
|
[6DH]A:308 |
17 |
1 |
400 |
◊ |
[6DH]A:308 |
-x,-y+1,z |
4_565 |
17 |
1 |
400 |
125.4 |
0.4 |
0.575 |
0 |
0 |
0 |
0.000 |
| Average: |
125.7 |
0.4 |
0.581 |
0 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[SO4]A:301 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
12033 |
112.9 |
-18.8 |
0.716 |
4 |
0 |
0 |
0.220 |
| 10 |
13 |
|
[SO4]B:301 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
11945 |
112.6 |
-13.7 |
0.909 |
4 |
0 |
0 |
0.215 |
| 11 |
14 |
|
[6DH]A:308 |
15 |
1 |
400 |
f |
A |
-x,-y+1,z |
4_565 |
16 |
5 |
12033 |
111.1 |
-0.3 |
0.336 |
2 |
0 |
0 |
0.013 |
| 12 |
15 |
|
[6DH]B:306 |
15 |
1 |
399 |
f |
B |
-x-1,-y,z |
4_455 |
18 |
6 |
11945 |
108.1 |
-0.4 |
0.381 |
1 |
0 |
0 |
0.012 |
| 13 |
16 |
|
[SO4]A:306 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
12033 |
94.7 |
-15.0 |
0.581 |
0 |
0 |
0 |
0.161 |
| 14 |
17 |
|
A |
10 |
4 |
12033 |
◊ |
A |
x-y,-y,-z |
8_555 |
10 |
4 |
12033 |
93.5 |
-0.6 |
0.497 |
0 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[6DH]A:307 |
13 |
1 |
411 |
◊ |
[6DH]A:307 |
-x+y,y,-z |
11_555 |
13 |
1 |
411 |
93.0 |
0.7 |
0.574 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[SO4]A:303 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
12033 |
70.4 |
-8.7 |
0.894 |
3 |
0 |
0 |
0.107 |
| 17 |
20 |
|
[SO4]B:303 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
11945 |
70.3 |
-8.4 |
0.902 |
2 |
0 |
0 |
0.129 |
| 18 |
21 |
|
[SO4]B:304 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
11945 |
69.6 |
-7.5 |
0.935 |
2 |
0 |
0 |
0.116 |
| 19 |
22 |
|
[SO4]A:302 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
12033 |
68.8 |
-8.6 |
0.933 |
3 |
0 |
0 |
0.107 |
| 20 |
23 |
|
[SO4]A:305 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
12033 |
68.7 |
-9.9 |
0.661 |
2 |
0 |
0 |
0.116 |
| 21 |
24 |
|
[SO4]B:302 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
11945 |
67.7 |
-8.0 |
0.950 |
3 |
0 |
0 |
0.129 |
| 22 |
25 |
|
[SO4]B:305 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
11945 |
60.6 |
-7.8 |
0.790 |
2 |
0 |
0 |
0.121 |
| 23 |
26 |
|
[SO4]A:304 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
12033 |
59.9 |
-5.8 |
0.947 |
2 |
0 |
0 |
0.072 |
| 24 |
27 |
|
[SO4]B:305 |
4 |
1 |
186 |
◊ |
B |
-x-1,-y,z |
4_455 |
4 |
3 |
11945 |
40.4 |
-5.1 |
0.473 |
0 |
0 |
0 |
0.071 |
| 25 |
28 |
|
[6DH]A:307 |
4 |
1 |
411 |
◊ |
A |
-x+y,y,-z |
11_555 |
3 |
1 |
12033 |
38.2 |
0.4 |
0.676 |
2 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[SO4]A:306 |
3 |
1 |
185 |
◊ |
[SO4]A:306 |
x-y,-y,-z |
8_555 |
3 |
1 |
185 |
21.7 |
-5.0 |
0.992 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[SO4]A:306 |
3 |
1 |
185 |
◊ |
A |
x-y,-y,-z |
8_555 |
3 |
2 |
12033 |
18.9 |
-2.6 |
0.552 |
0 |
0 |
0 |
0.000 |
| 28 |
31 |
|
B |
1 |
1 |
11945 |
◊ |
B |
-x,-x+y,-z+1/3 |
12_555 |
1 |
1 |
11945 |
3.9 |
0.1 |
0.770 |
0 |
0 |
0 |
0.000 |
|