| ## |
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 |
88 |
27 |
20184 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
88 |
24 |
20103 |
863.5 |
-8.9 |
0.159 |
5 |
0 |
0 |
0.000 |
2 |
|
D |
84 |
25 |
20237 |
◊ |
B |
x,y,z |
1_555 |
83 |
23 |
20240 |
790.4 |
-6.2 |
0.284 |
6 |
0 |
0 |
0.000 |
| Average: |
826.9 |
-7.6 |
0.222 |
6 |
0 |
0 |
0.000 |
| 2 |
3 |
|
B |
52 |
14 |
20240 |
◊ |
C |
x-1,y,z-1 |
1_454 |
65 |
20 |
20103 |
466.7 |
-2.1 |
0.500 |
4 |
0 |
0 |
0.000 |
| 3 |
4 |
|
D |
51 |
19 |
20237 |
◊ |
A |
x-1,y,z |
1_455 |
48 |
17 |
20184 |
458.6 |
-2.7 |
0.427 |
3 |
1 |
0 |
0.000 |
| 4 |
5 |
|
D |
43 |
18 |
20237 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
43 |
16 |
20240 |
422.0 |
0.6 |
0.622 |
3 |
3 |
0 |
0.000 |
6 |
|
A |
43 |
18 |
20184 |
◊ |
C |
x,y,z-1 |
1_554 |
48 |
17 |
20103 |
407.1 |
-0.5 |
0.605 |
2 |
2 |
0 |
0.000 |
7 |
|
D |
44 |
19 |
20237 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
42 |
19 |
20240 |
398.6 |
1.0 |
0.710 |
3 |
2 |
0 |
0.000 |
8 |
|
C |
42 |
17 |
20103 |
◊ |
A |
x,y,z |
1_555 |
42 |
17 |
20184 |
372.9 |
-0.7 |
0.564 |
2 |
2 |
0 |
0.000 |
| Average: |
400.1 |
0.1 |
0.625 |
3 |
2 |
0 |
0.000 |
| 5 |
9 |
|
D |
44 |
18 |
20237 |
◊ |
A |
x,y,z |
1_555 |
39 |
14 |
20184 |
333.3 |
-3.4 |
0.293 |
1 |
0 |
0 |
0.000 |
| 6 |
10 |
|
B |
28 |
11 |
20240 |
◊ |
A |
x,y,z |
1_555 |
32 |
13 |
20184 |
245.7 |
-2.1 |
0.395 |
0 |
0 |
0 |
0.000 |
11 |
|
D |
26 |
11 |
20237 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
22 |
9 |
20103 |
189.3 |
-1.3 |
0.463 |
0 |
0 |
0 |
0.000 |
| Average: |
217.5 |
-1.7 |
0.429 |
0 |
0 |
0 |
0.000 |
| 7 |
12 |
|
B |
38 |
14 |
20240 |
◊ |
C |
x-1,y,z |
1_455 |
19 |
7 |
20103 |
216.7 |
0.8 |
0.695 |
1 |
2 |
0 |
0.000 |
| 8 |
13 |
|
B |
25 |
5 |
20240 |
◊ |
D |
x,y,z-1 |
1_554 |
23 |
4 |
20237 |
187.2 |
-0.5 |
0.574 |
0 |
0 |
0 |
0.000 |
14 |
|
A |
21 |
5 |
20184 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
22 |
4 |
20103 |
173.1 |
-0.8 |
0.524 |
0 |
0 |
0 |
0.000 |
| Average: |
180.2 |
-0.7 |
0.549 |
0 |
0 |
0 |
0.000 |
| 9 |
15 |
|
[PEG]A:605 |
7 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
20184 |
160.1 |
3.7 |
0.406 |
0 |
0 |
0 |
0.000 |
| 10 |
16 |
|
[GOL]D:602 |
6 |
1 |
221 |
f |
D |
x,y,z |
1_555 |
23 |
8 |
20237 |
140.4 |
-0.2 |
0.533 |
0 |
0 |
0 |
0.002 |
| 11 |
17 |
|
[GOL]A:606 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
20184 |
131.9 |
1.0 |
0.582 |
4 |
0 |
0 |
0.005 |
| 12 |
18 |
|
[EDO]C:602 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
22 |
9 |
20103 |
126.8 |
3.6 |
0.458 |
3 |
0 |
0 |
0.000 |
| 13 |
19 |
|
[EDO]A:607 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
20184 |
126.7 |
3.7 |
0.646 |
3 |
0 |
0 |
0.000 |
| 14 |
20 |
|
[EDO]B:604 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
20240 |
120.5 |
3.6 |
0.510 |
1 |
0 |
0 |
0.000 |
| 15 |
21 |
|
[EDO]B:602 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
24 |
13 |
20240 |
112.8 |
3.6 |
0.493 |
3 |
0 |
0 |
0.000 |
| 16 |
22 |
|
[EDO]A:604 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
20184 |
107.1 |
3.0 |
0.463 |
2 |
0 |
0 |
0.000 |
| 17 |
23 |
|
[EDO]D:603 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
20237 |
97.5 |
2.0 |
0.357 |
2 |
0 |
0 |
0.000 |
| 18 |
24 |
|
[SO4]D:601 |
5 |
1 |
185 |
f |
B |
-x,y-1/2,-z+1 |
2_546 |
15 |
4 |
20240 |
88.7 |
-12.4 |
0.834 |
4 |
0 |
0 |
0.182 |
| 19 |
25 |
|
[SO4]A:602 |
5 |
1 |
185 |
f |
C |
x,y,z-1 |
1_554 |
11 |
4 |
20103 |
87.8 |
-11.8 |
0.874 |
5 |
0 |
0 |
0.059 |
| 20 |
26 |
|
D |
8 |
3 |
20237 |
f |
[SO4]B:601 |
-x,y-1/2,-z |
2_545 |
5 |
1 |
186 |
87.6 |
-11.8 |
0.860 |
4 |
0 |
0 |
0.098 |
| 21 |
27 |
|
[SO4]A:601 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
20184 |
86.5 |
-11.2 |
0.885 |
4 |
0 |
0 |
0.081 |
| 22 |
28 |
|
[EDO]C:603 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
21 |
7 |
20103 |
85.0 |
2.3 |
0.436 |
0 |
0 |
0 |
0.000 |
| 23 |
29 |
|
B |
8 |
3 |
20240 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
3 |
20184 |
82.5 |
2.0 |
0.865 |
1 |
2 |
0 |
0.000 |
30 |
|
D |
9 |
4 |
20237 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
4 |
20103 |
63.3 |
1.5 |
0.837 |
1 |
2 |
0 |
0.000 |
| Average: |
72.9 |
1.7 |
0.851 |
1 |
2 |
0 |
0.000 |
| 24 |
31 |
|
[SO4]C:601 |
4 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
20103 |
77.4 |
-11.1 |
0.605 |
3 |
0 |
0 |
0.052 |
| 25 |
32 |
|
[EDO]B:603 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
20240 |
71.0 |
1.1 |
0.663 |
2 |
0 |
0 |
0.000 |
| 26 |
33 |
|
B |
11 |
6 |
20240 |
f |
[EDO]C:603 |
x-1,y,z-1 |
1_454 |
4 |
1 |
184 |
67.1 |
1.5 |
0.808 |
3 |
0 |
0 |
0.000 |
| 27 |
34 |
|
[SO4]B:601 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
20240 |
56.8 |
-6.7 |
0.873 |
3 |
0 |
0 |
0.000 |
| 28 |
35 |
|
[SO4]A:603 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
20184 |
56.1 |
-7.8 |
0.610 |
1 |
0 |
0 |
0.052 |
| 29 |
36 |
|
C |
7 |
4 |
20103 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
20240 |
56.0 |
2.0 |
0.909 |
0 |
0 |
0 |
0.000 |
37 |
|
B |
4 |
2 |
20240 |
◊ |
C |
x,y,z-1 |
1_554 |
5 |
2 |
20103 |
27.2 |
1.1 |
0.874 |
0 |
0 |
0 |
0.000 |
| Average: |
41.6 |
1.5 |
0.892 |
0 |
0 |
0 |
0.000 |
| 30 |
38 |
|
[SO4]D:601 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
20237 |
55.7 |
-6.4 |
0.920 |
2 |
0 |
0 |
0.000 |
| 31 |
39 |
|
[SO4]A:602 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
20184 |
53.8 |
-6.0 |
0.911 |
2 |
0 |
0 |
0.000 |
| 32 |
40 |
|
[SO4]A:601 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
20103 |
51.5 |
-5.8 |
0.937 |
2 |
0 |
0 |
0.000 |
| 33 |
41 |
|
[EDO]D:603 |
3 |
1 |
184 |
f |
B |
-x,y-1/2,-z |
2_545 |
5 |
2 |
20240 |
41.9 |
1.1 |
0.883 |
1 |
0 |
0 |
0.000 |
| 34 |
42 |
|
B |
5 |
3 |
20240 |
◊ |
[SO4]C:601 |
x-1,y,z |
1_455 |
4 |
1 |
187 |
41.3 |
-4.5 |
0.896 |
2 |
0 |
0 |
0.000 |
| 35 |
43 |
|
[EDO]A:604 |
3 |
1 |
184 |
f |
C |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
3 |
20103 |
37.3 |
0.3 |
0.485 |
0 |
0 |
0 |
0.000 |
| 36 |
44 |
|
[EDO]B:603 |
3 |
1 |
184 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
20103 |
33.7 |
1.5 |
0.978 |
1 |
0 |
0 |
0.000 |
|