| ## |
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 |
|
[HEC]A:101 |
43 |
1 |
849 |
cf |
A |
x,y,z |
1_555 |
78 |
31 |
5539 |
599.9 |
-25.1 |
0.189 |
8 |
0 |
0 |
0.100 |
2 |
|
[HEC]D:101 |
43 |
1 |
849 |
cf |
D |
x,y,z |
1_555 |
79 |
32 |
5519 |
599.5 |
-25.2 |
0.215 |
8 |
0 |
0 |
0.100 |
3 |
|
[HEC]C:101 |
43 |
1 |
844 |
cf |
C |
x,y,z |
1_555 |
78 |
30 |
5777 |
585.7 |
-23.0 |
0.310 |
8 |
0 |
0 |
0.100 |
4 |
|
[HEC]B:101 |
43 |
1 |
851 |
cf |
B |
x,y,z |
1_555 |
75 |
30 |
5780 |
585.5 |
-24.8 |
0.188 |
8 |
0 |
0 |
0.100 |
| Average: |
592.6 |
-24.5 |
0.226 |
8 |
0 |
0 |
0.100 |
| 2 |
5 |
|
C |
56 |
16 |
5777 |
◊ |
A |
x,y,z |
1_555 |
55 |
17 |
5539 |
499.3 |
-1.3 |
0.651 |
7 |
3 |
0 |
0.000 |
6 |
|
D |
55 |
17 |
5519 |
◊ |
B |
x,y,z |
1_555 |
54 |
15 |
5780 |
497.7 |
-1.4 |
0.670 |
9 |
3 |
0 |
0.000 |
| Average: |
498.5 |
-1.4 |
0.660 |
8 |
3 |
0 |
0.000 |
| 3 |
7 |
|
D |
39 |
13 |
5519 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
31 |
12 |
5777 |
360.8 |
-2.1 |
0.344 |
1 |
1 |
0 |
0.000 |
8 |
|
A |
39 |
12 |
5539 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
31 |
12 |
5780 |
358.1 |
-2.0 |
0.349 |
1 |
1 |
0 |
0.000 |
| Average: |
359.4 |
-2.1 |
0.347 |
1 |
1 |
0 |
0.000 |
| 4 |
9 |
|
B |
38 |
13 |
5780 |
◊ |
A |
x,y,z |
1_555 |
29 |
12 |
5539 |
332.7 |
-0.8 |
0.464 |
3 |
0 |
0 |
0.000 |
10 |
|
C |
34 |
11 |
5777 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
31 |
12 |
5519 |
327.3 |
-1.4 |
0.409 |
4 |
0 |
0 |
0.000 |
| Average: |
330.0 |
-1.1 |
0.436 |
4 |
0 |
0 |
0.000 |
| 5 |
11 |
|
D |
14 |
5 |
5519 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
21 |
8 |
5780 |
148.5 |
3.1 |
0.925 |
2 |
1 |
0 |
0.000 |
12 |
|
C |
20 |
9 |
5777 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
13 |
5 |
5539 |
147.9 |
3.7 |
0.932 |
1 |
0 |
0 |
0.000 |
| Average: |
148.2 |
3.4 |
0.928 |
2 |
1 |
0 |
0.000 |
| 6 |
13 |
|
A |
19 |
9 |
5539 |
◊ |
B |
x-1,y,z |
1_455 |
14 |
4 |
5780 |
148.3 |
-2.0 |
0.308 |
0 |
0 |
0 |
0.000 |
14 |
|
C |
12 |
4 |
5777 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
17 |
9 |
5519 |
135.0 |
-1.9 |
0.284 |
0 |
0 |
0 |
0.000 |
| Average: |
141.6 |
-1.9 |
0.296 |
0 |
0 |
0 |
0.000 |
| 7 |
15 |
|
C |
10 |
4 |
5777 |
◊ |
B |
x-1,y,z |
1_455 |
10 |
3 |
5780 |
70.4 |
-0.6 |
0.533 |
0 |
0 |
0 |
0.000 |
16 |
|
C |
8 |
2 |
5777 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
10 |
4 |
5780 |
64.8 |
-0.1 |
0.631 |
0 |
0 |
0 |
0.000 |
| Average: |
67.6 |
-0.3 |
0.582 |
0 |
0 |
0 |
0.000 |
| 8 |
17 |
|
A |
10 |
5 |
5539 |
◊ |
[HEC]B:101 |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
851 |
66.6 |
-0.9 |
0.606 |
0 |
0 |
0 |
0.000 |
18 |
|
D |
10 |
5 |
5519 |
◊ |
[HEC]C:101 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
844 |
66.1 |
-0.9 |
0.615 |
0 |
0 |
0 |
0.000 |
| Average: |
66.3 |
-0.9 |
0.610 |
0 |
0 |
0 |
0.000 |
| 9 |
19 |
|
[HEC]A:101 |
3 |
1 |
849 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
5780 |
44.6 |
-0.6 |
0.676 |
0 |
0 |
0 |
0.000 |
20 |
|
C |
6 |
3 |
5777 |
◊ |
[HEC]D:101 |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
849 |
42.8 |
-0.6 |
0.571 |
0 |
0 |
0 |
0.000 |
| Average: |
43.7 |
-0.6 |
0.623 |
0 |
0 |
0 |
0.000 |
| 10 |
21 |
|
D |
7 |
3 |
5519 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
3 |
5777 |
44.3 |
-0.6 |
0.472 |
0 |
0 |
0 |
0.000 |
22 |
|
B |
3 |
2 |
5780 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
2 |
5539 |
27.6 |
0.0 |
0.552 |
0 |
0 |
0 |
0.000 |
| Average: |
36.0 |
-0.3 |
0.512 |
0 |
0 |
0 |
0.000 |
| 11 |
23 |
|
C |
3 |
2 |
5777 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
2 |
2 |
5777 |
21.7 |
0.2 |
0.674 |
0 |
0 |
0 |
0.000 |
24 |
|
B |
2 |
2 |
5780 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
2 |
5780 |
16.0 |
0.5 |
0.822 |
0 |
0 |
0 |
0.000 |
| Average: |
18.9 |
0.4 |
0.748 |
0 |
0 |
0 |
0.000 |
| 12 |
25 |
|
B |
1 |
1 |
5780 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
5777 |
13.7 |
-0.4 |
0.172 |
0 |
0 |
0 |
0.000 |
| 13 |
26 |
|
D |
1 |
1 |
5519 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
5539 |
0.9 |
-0.0 |
0.627 |
0 |
0 |
0 |
0.000 |
|