| ## |
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 |
77 |
20 |
10858 |
◊ |
A |
x,y,z |
1_555 |
78 |
22 |
10868 |
782.7 |
-11.3 |
0.069 |
7 |
0 |
0 |
1.000 |
2 |
|
D |
82 |
22 |
11202 |
◊ |
C |
x,y,z |
1_555 |
76 |
21 |
10863 |
778.3 |
-11.3 |
0.074 |
7 |
0 |
0 |
1.000 |
| Average: |
780.5 |
-11.3 |
0.072 |
7 |
0 |
0 |
1.000 |
| 2 |
3 |
|
A |
40 |
14 |
10868 |
◊ |
C |
x,y-1,z |
1_545 |
37 |
13 |
10863 |
401.6 |
-3.7 |
0.296 |
4 |
2 |
0 |
0.000 |
4 |
|
B |
39 |
14 |
10858 |
◊ |
D |
x,y-1,z |
1_545 |
38 |
12 |
11202 |
398.1 |
-3.7 |
0.305 |
4 |
2 |
0 |
0.000 |
| Average: |
399.9 |
-3.7 |
0.301 |
4 |
2 |
0 |
0.000 |
| 3 |
5 |
|
C |
35 |
13 |
10863 |
◊ |
B |
x,y,z |
1_555 |
38 |
12 |
10858 |
346.5 |
3.9 |
0.854 |
5 |
6 |
0 |
0.000 |
| 4 |
6 |
|
A |
33 |
9 |
10868 |
◊ |
B |
x,y,z-1 |
1_554 |
42 |
12 |
10858 |
299.0 |
2.8 |
0.844 |
5 |
1 |
0 |
0.000 |
7 |
|
D |
36 |
10 |
11202 |
◊ |
C |
x-1,y,z+1 |
1_456 |
35 |
10 |
10863 |
290.5 |
1.9 |
0.757 |
3 |
3 |
0 |
0.000 |
| Average: |
294.8 |
2.3 |
0.800 |
4 |
2 |
0 |
0.000 |
| 5 |
8 |
|
B |
36 |
10 |
10858 |
x |
B |
x-1,y,z |
1_455 |
27 |
7 |
10858 |
269.0 |
0.3 |
0.666 |
3 |
0 |
0 |
0.000 |
9 |
|
C |
32 |
9 |
10863 |
x |
C |
x-1,y,z |
1_455 |
25 |
7 |
10863 |
232.7 |
0.0 |
0.625 |
3 |
0 |
0 |
0.000 |
10 |
|
D |
25 |
8 |
11202 |
x |
D |
x-1,y,z |
1_455 |
29 |
9 |
11202 |
223.5 |
-0.5 |
0.584 |
2 |
0 |
0 |
0.000 |
11 |
|
A |
20 |
7 |
10868 |
x |
A |
x-1,y,z |
1_455 |
27 |
8 |
10868 |
209.5 |
-0.8 |
0.544 |
3 |
0 |
0 |
0.000 |
| Average: |
233.7 |
-0.2 |
0.605 |
3 |
0 |
0 |
0.000 |
| 6 |
12 |
|
D |
21 |
10 |
11202 |
◊ |
B |
x,y,z |
1_555 |
19 |
9 |
10858 |
165.0 |
2.6 |
0.871 |
3 |
4 |
0 |
0.000 |
| 7 |
13 |
|
A |
16 |
6 |
10868 |
◊ |
C |
x-1,y,z |
1_455 |
19 |
7 |
10863 |
148.1 |
2.2 |
0.824 |
3 |
5 |
0 |
0.000 |
| 8 |
14 |
|
[EDO]D:302 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
27 |
9 |
11202 |
124.7 |
5.0 |
0.790 |
1 |
0 |
0 |
0.000 |
| 9 |
15 |
|
[EDO]C:304 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
28 |
10 |
10863 |
122.3 |
5.0 |
0.778 |
3 |
0 |
0 |
0.000 |
| 10 |
16 |
|
[EDO]D:301 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
25 |
7 |
11202 |
121.7 |
3.3 |
0.590 |
2 |
0 |
0 |
0.000 |
| 11 |
17 |
|
[EDO]C:302 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
21 |
7 |
10863 |
97.1 |
2.8 |
0.480 |
3 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[EDO]D:304 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
14 |
4 |
11202 |
94.1 |
1.9 |
0.214 |
1 |
0 |
0 |
0.000 |
| 13 |
19 |
|
[EDO]C:303 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
15 |
4 |
10863 |
93.7 |
1.7 |
0.315 |
2 |
0 |
0 |
0.000 |
| 14 |
20 |
|
[EDO]C:301 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
19 |
7 |
10863 |
91.1 |
2.3 |
0.416 |
1 |
0 |
0 |
0.000 |
| 15 |
21 |
|
[EDO]D:303 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
11202 |
75.0 |
1.5 |
0.687 |
0 |
0 |
0 |
0.000 |
| 16 |
22 |
|
A |
6 |
3 |
10868 |
f |
[EDO]C:301 |
x,y-1,z |
1_545 |
4 |
1 |
185 |
42.1 |
0.8 |
0.673 |
1 |
0 |
0 |
0.000 |
| 17 |
23 |
|
B |
5 |
2 |
10858 |
◊ |
A |
x-1,y,z+1 |
1_456 |
5 |
3 |
10868 |
31.1 |
0.7 |
0.793 |
1 |
1 |
0 |
0.000 |
24 |
|
C |
4 |
2 |
10863 |
◊ |
D |
x,y,z-1 |
1_554 |
2 |
1 |
11202 |
22.0 |
0.5 |
0.808 |
0 |
0 |
0 |
0.000 |
| Average: |
26.6 |
0.6 |
0.801 |
1 |
1 |
0 |
0.000 |
| 18 |
25 |
|
[EDO]C:302 |
3 |
1 |
184 |
f |
[EDO]C:301 |
x,y,z |
1_555 |
3 |
1 |
185 |
28.6 |
1.0 |
1.000 |
1 |
0 |
0 |
0.000 |
| 19 |
26 |
|
D |
2 |
1 |
11202 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
2 |
10858 |
17.3 |
0.7 |
0.793 |
0 |
0 |
0 |
0.000 |
| 20 |
27 |
|
A |
3 |
2 |
10868 |
f |
[EDO]C:302 |
x,y-1,z |
1_545 |
3 |
1 |
184 |
15.7 |
0.4 |
0.871 |
1 |
0 |
0 |
0.002 |
| 21 |
28 |
|
D |
3 |
1 |
11202 |
f |
[EDO]C:303 |
x-1,y,z+1 |
1_456 |
2 |
1 |
185 |
10.7 |
0.3 |
0.868 |
0 |
0 |
0 |
0.000 |
| 22 |
29 |
|
C |
2 |
2 |
10863 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
10868 |
8.3 |
0.2 |
0.703 |
0 |
0 |
0 |
0.000 |
| 23 |
30 |
|
A |
2 |
1 |
10868 |
◊ |
D |
x,y,z-1 |
1_554 |
2 |
1 |
11202 |
4.5 |
0.0 |
0.661 |
0 |
0 |
0 |
0.000 |
|