| ## |
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 |
|
D |
80 |
19 |
8393 |
◊ |
B |
x-1,y+1,z |
1_465 |
81 |
20 |
9071 |
783.8 |
-12.0 |
0.044 |
2 |
1 |
0 |
1.000 |
| 2 |
2 |
|
C |
75 |
19 |
8587 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
67 |
23 |
9007 |
702.7 |
-0.1 |
0.546 |
13 |
4 |
0 |
0.000 |
| 3 |
3 |
|
C |
58 |
14 |
8587 |
◊ |
A |
x,y,z |
1_555 |
58 |
17 |
9007 |
580.3 |
-7.7 |
0.102 |
2 |
1 |
0 |
0.000 |
| 4 |
4 |
|
B |
58 |
17 |
9071 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
60 |
17 |
8393 |
546.8 |
-0.6 |
0.577 |
3 |
0 |
0 |
0.000 |
| 5 |
5 |
|
D |
47 |
11 |
8393 |
◊ |
A |
x-1,y,z |
1_455 |
52 |
15 |
9007 |
456.5 |
-6.1 |
0.149 |
2 |
2 |
0 |
0.000 |
6 |
|
C |
47 |
11 |
8587 |
◊ |
B |
x,y,z |
1_555 |
48 |
12 |
9071 |
430.4 |
-2.4 |
0.414 |
3 |
1 |
0 |
0.000 |
| Average: |
443.5 |
-4.2 |
0.282 |
3 |
2 |
0 |
0.000 |
| 6 |
7 |
|
B |
56 |
16 |
9071 |
x |
B |
-x+2,y-1/2,-z+2 |
2_747 |
51 |
17 |
9071 |
420.9 |
1.3 |
0.661 |
1 |
0 |
0 |
0.000 |
| 7 |
8 |
|
C |
46 |
13 |
8587 |
◊ |
D |
x,y-1,z |
1_545 |
42 |
14 |
8393 |
420.5 |
1.4 |
0.735 |
4 |
1 |
0 |
0.000 |
| 8 |
9 |
|
C |
49 |
16 |
8587 |
◊ |
B |
x-1,y,z |
1_455 |
56 |
14 |
9071 |
416.7 |
-0.7 |
0.421 |
3 |
3 |
0 |
0.000 |
| 9 |
10 |
|
A |
57 |
16 |
9007 |
x |
A |
-x+2,y-1/2,-z+1 |
2_746 |
52 |
18 |
9007 |
414.4 |
1.7 |
0.690 |
3 |
0 |
0 |
0.000 |
| 10 |
11 |
|
D |
37 |
16 |
8393 |
◊ |
C |
x,y,z |
1_555 |
50 |
14 |
8587 |
390.4 |
1.8 |
0.763 |
3 |
5 |
0 |
0.000 |
| 11 |
12 |
|
D |
40 |
12 |
8393 |
◊ |
A |
x,y,z |
1_555 |
41 |
12 |
9007 |
353.6 |
0.6 |
0.628 |
3 |
0 |
0 |
0.000 |
| 12 |
13 |
|
B |
35 |
12 |
9071 |
◊ |
D |
-x+2,y-1/2,-z+2 |
2_747 |
38 |
11 |
8393 |
330.5 |
1.2 |
0.714 |
4 |
6 |
0 |
0.000 |
| 13 |
14 |
|
C |
30 |
11 |
8587 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
36 |
10 |
9007 |
310.6 |
4.8 |
0.872 |
6 |
12 |
0 |
0.000 |
| 14 |
15 |
|
B |
15 |
6 |
9071 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
13 |
6 |
8587 |
144.6 |
1.1 |
0.736 |
2 |
0 |
0 |
0.000 |
| 15 |
16 |
|
B |
16 |
6 |
9071 |
◊ |
C |
-x+2,y-1/2,-z+2 |
2_747 |
13 |
5 |
8587 |
94.3 |
0.1 |
0.552 |
0 |
0 |
0 |
0.000 |
| 16 |
17 |
|
A |
10 |
4 |
9007 |
◊ |
D |
-x+2,y-1/2,-z+1 |
2_746 |
8 |
4 |
8393 |
78.5 |
1.2 |
0.779 |
2 |
0 |
0 |
0.000 |
| 17 |
18 |
|
A |
10 |
2 |
9007 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
4 |
8393 |
76.3 |
0.5 |
0.666 |
1 |
1 |
0 |
0.000 |
| 18 |
19 |
|
[EDO]C:169 |
4 |
1 |
185 |
f |
A |
-x+2,y-1/2,-z+1 |
2_746 |
10 |
2 |
9007 |
72.2 |
2.0 |
0.776 |
1 |
0 |
0 |
0.000 |
| 19 |
20 |
|
B |
11 |
4 |
9071 |
◊ |
D |
x,y-1,z |
1_545 |
14 |
4 |
8393 |
69.7 |
-0.4 |
0.533 |
0 |
0 |
0 |
0.000 |
21 |
|
C |
6 |
2 |
8587 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
2 |
9007 |
31.9 |
0.2 |
0.582 |
0 |
0 |
0 |
0.000 |
| Average: |
50.8 |
-0.1 |
0.557 |
0 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[EDO]C:169 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
8587 |
63.1 |
2.3 |
0.881 |
0 |
0 |
0 |
0.000 |
| 21 |
23 |
|
B |
11 |
5 |
9071 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
7 |
3 |
9007 |
52.1 |
-0.8 |
0.427 |
0 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[PEG]C:170 |
5 |
1 |
256 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
8587 |
36.8 |
-0.6 |
0.112 |
1 |
0 |
0 |
0.100 |
| 23 |
25 |
|
C |
4 |
1 |
8587 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
5 |
2 |
8393 |
34.2 |
0.4 |
0.723 |
0 |
0 |
0 |
0.000 |
| 24 |
26 |
|
B |
2 |
1 |
9071 |
x |
B |
x-1,y,z |
1_455 |
5 |
3 |
9071 |
27.4 |
-0.5 |
0.276 |
0 |
0 |
0 |
0.000 |
| 25 |
27 |
|
A |
3 |
1 |
9007 |
x |
A |
x-1,y,z |
1_455 |
4 |
2 |
9007 |
25.1 |
-0.1 |
0.487 |
0 |
0 |
0 |
0.000 |
|