| ## |
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 |
135 |
43 |
14393 |
◊ |
A |
x,y,z |
1_555 |
136 |
42 |
14130 |
1327.5 |
-10.1 |
0.296 |
34 |
10 |
0 |
0.999 |
| 2 |
2 |
|
A |
62 |
25 |
14130 |
◊ |
B |
x-1,y,z |
1_455 |
52 |
19 |
14393 |
550.4 |
-4.1 |
0.379 |
5 |
5 |
0 |
0.000 |
| 3 |
3 |
|
B |
48 |
15 |
14393 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
40 |
14 |
14393 |
407.5 |
-0.1 |
0.632 |
7 |
2 |
0 |
0.000 |
| 4 |
4 |
|
A |
42 |
10 |
14130 |
x |
A |
x,y,z-1 |
1_554 |
41 |
10 |
14130 |
349.7 |
0.4 |
0.723 |
6 |
2 |
0 |
0.000 |
| 5 |
5 |
|
F |
20 |
3 |
519 |
◊ |
B |
x,y,z |
1_555 |
57 |
18 |
14393 |
297.4 |
-4.6 |
0.583 |
4 |
0 |
0 |
0.225 |
| 6 |
6 |
|
E |
20 |
3 |
518 |
◊ |
A |
x,y,z |
1_555 |
51 |
17 |
14130 |
295.1 |
-4.6 |
0.551 |
4 |
0 |
0 |
0.000 |
| 7 |
7 |
|
B |
26 |
5 |
14393 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
32 |
14 |
14130 |
283.2 |
-2.3 |
0.344 |
2 |
0 |
0 |
0.000 |
| 8 |
8 |
|
B |
25 |
7 |
14393 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
18 |
5 |
14393 |
189.2 |
-1.2 |
0.481 |
0 |
1 |
0 |
0.000 |
| 9 |
9 |
|
A |
15 |
6 |
14130 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
21 |
10 |
14393 |
177.0 |
0.0 |
0.637 |
3 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[0JU]F:5 |
9 |
1 |
300 |
cf |
B |
x,y,z |
1_555 |
29 |
12 |
14393 |
157.7 |
-0.5 |
0.246 |
4 |
0 |
0 |
0.135 |
11 |
|
[0JU]E:5 |
9 |
1 |
298 |
cf |
A |
x,y,z |
1_555 |
26 |
14 |
14130 |
153.0 |
0.0 |
0.340 |
3 |
0 |
0 |
0.135 |
| Average: |
155.4 |
-0.2 |
0.293 |
4 |
0 |
0 |
0.135 |
| 11 |
12 |
|
[PHQ]E:1 |
10 |
1 |
301 |
◊ |
A |
x,y,z |
1_555 |
27 |
8 |
14130 |
140.1 |
4.5 |
0.095 |
0 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[PHQ]F:1 |
10 |
1 |
306 |
◊ |
B |
x,y,z |
1_555 |
28 |
8 |
14393 |
137.5 |
4.3 |
0.038 |
0 |
0 |
0 |
0.000 |
| 13 |
14 |
|
A |
12 |
5 |
14130 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
16 |
5 |
14393 |
122.7 |
-1.7 |
0.322 |
0 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[EDO]A:401 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
14130 |
107.1 |
3.5 |
0.503 |
5 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[EDO]B:402 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
14393 |
83.1 |
1.3 |
0.215 |
2 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[PHQ]F:1 |
10 |
1 |
306 |
cf |
F |
x,y,z |
1_555 |
7 |
2 |
519 |
82.4 |
2.4 |
0.003 |
1 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[PHQ]E:1 |
10 |
1 |
301 |
cf |
E |
x,y,z |
1_555 |
7 |
2 |
518 |
77.0 |
2.4 |
0.010 |
1 |
0 |
0 |
0.000 |
| 18 |
19 |
|
A |
11 |
4 |
14130 |
f |
[EDO]B:401 |
x-1,y,z |
1_455 |
4 |
1 |
184 |
75.9 |
1.7 |
0.270 |
3 |
0 |
0 |
0.000 |
| 19 |
20 |
|
[EDO]B:401 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
14393 |
68.1 |
2.2 |
0.283 |
1 |
0 |
0 |
0.000 |
| 20 |
21 |
|
[0JU]E:5 |
7 |
1 |
298 |
c |
E |
x,y,z |
1_555 |
6 |
2 |
518 |
63.2 |
-0.1 |
0.476 |
1 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[0JU]F:5 |
6 |
1 |
300 |
c |
F |
x,y,z |
1_555 |
8 |
2 |
519 |
61.1 |
-0.4 |
0.469 |
1 |
0 |
0 |
0.031 |
| 22 |
23 |
|
A |
5 |
2 |
14130 |
◊ |
[EDO]B:402 |
x-1,y,z |
1_455 |
2 |
1 |
185 |
20.9 |
0.6 |
0.787 |
0 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[0JU]E:5 |
2 |
1 |
298 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14393 |
15.9 |
0.7 |
0.772 |
0 |
0 |
0 |
0.000 |
| 24 |
25 |
|
[0JU]F:5 |
1 |
1 |
300 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14130 |
15.7 |
0.7 |
0.877 |
0 |
0 |
0 |
0.000 |
| 25 |
26 |
|
[0JU]E:5 |
1 |
1 |
298 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
14393 |
8.3 |
0.6 |
0.719 |
0 |
0 |
0 |
0.000 |
| 26 |
27 |
|
[PHQ]E:1 |
1 |
1 |
301 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
14393 |
6.6 |
0.3 |
0.372 |
0 |
0 |
0 |
0.000 |
| 27 |
28 |
|
E |
1 |
1 |
518 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
14393 |
5.7 |
0.1 |
0.697 |
0 |
0 |
0 |
0.000 |
| 28 |
29 |
|
[PHQ]F:1 |
2 |
1 |
306 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14130 |
2.0 |
0.1 |
0.840 |
0 |
0 |
0 |
0.000 |
|