| ## |
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 |
|
E |
205 |
59 |
9762 |
◊ |
B |
x,y,z |
1_555 |
205 |
59 |
9775 |
2028.8 |
-11.7 |
0.794 |
28 |
6 |
0 |
0.980 |
2 |
|
F |
212 |
60 |
9807 |
◊ |
C |
x,y,z |
1_555 |
215 |
60 |
9836 |
2009.1 |
-12.0 |
0.830 |
33 |
6 |
0 |
0.980 |
3 |
|
H |
206 |
59 |
9798 |
◊ |
D |
x,y,z |
1_555 |
203 |
59 |
9900 |
2005.8 |
-11.6 |
0.802 |
32 |
6 |
0 |
0.980 |
4 |
|
G |
207 |
59 |
9713 |
◊ |
A |
x,y,z |
1_555 |
203 |
59 |
9750 |
1988.5 |
-11.5 |
0.797 |
31 |
6 |
0 |
0.980 |
| Average: |
2008.0 |
-11.7 |
0.806 |
31 |
6 |
0 |
0.980 |
| 2 |
5 |
|
F |
93 |
29 |
9807 |
◊ |
E |
x-1,y,z |
1_455 |
93 |
29 |
9762 |
904.8 |
-17.5 |
0.076 |
2 |
0 |
0 |
0.978 |
6 |
|
D |
91 |
29 |
9900 |
◊ |
A |
x,y,z |
1_555 |
89 |
29 |
9750 |
881.8 |
-16.8 |
0.079 |
2 |
0 |
0 |
0.978 |
7 |
|
C |
89 |
28 |
9836 |
◊ |
B |
x-1,y,z |
1_455 |
93 |
29 |
9775 |
871.9 |
-17.2 |
0.074 |
2 |
0 |
0 |
0.978 |
8 |
|
H |
91 |
29 |
9798 |
◊ |
G |
x,y,z |
1_555 |
89 |
29 |
9713 |
870.9 |
-17.7 |
0.052 |
3 |
0 |
0 |
0.978 |
| Average: |
882.4 |
-17.3 |
0.070 |
2 |
0 |
0 |
0.978 |
| 3 |
9 |
|
F |
45 |
12 |
9807 |
◊ |
H |
-x-1,-y-1/2,z-1/2 |
4_444 |
43 |
13 |
9798 |
378.5 |
-2.3 |
0.683 |
3 |
1 |
0 |
0.000 |
| 4 |
10 |
|
C |
39 |
14 |
9836 |
◊ |
E |
x-1,y,z |
1_455 |
38 |
13 |
9762 |
344.4 |
-1.7 |
0.699 |
2 |
0 |
0 |
0.055 |
11 |
|
G |
40 |
14 |
9713 |
◊ |
D |
x,y,z |
1_555 |
40 |
14 |
9900 |
342.8 |
-1.1 |
0.738 |
2 |
0 |
0 |
0.055 |
12 |
|
H |
39 |
13 |
9798 |
◊ |
A |
x,y,z |
1_555 |
38 |
14 |
9750 |
334.0 |
-2.1 |
0.662 |
2 |
0 |
0 |
0.055 |
13 |
|
F |
38 |
12 |
9807 |
◊ |
B |
x-1,y,z |
1_455 |
36 |
12 |
9775 |
331.9 |
-1.3 |
0.724 |
3 |
0 |
0 |
0.055 |
| Average: |
338.3 |
-1.6 |
0.706 |
2 |
0 |
0 |
0.055 |
| 5 |
14 |
|
G |
37 |
11 |
9713 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
35 |
11 |
9762 |
300.6 |
-1.0 |
0.744 |
2 |
1 |
0 |
0.000 |
| 6 |
15 |
|
C |
28 |
11 |
9836 |
◊ |
A |
x,-y,-z |
2_555 |
33 |
10 |
9750 |
295.1 |
0.4 |
0.838 |
3 |
1 |
0 |
0.000 |
16 |
|
D |
30 |
13 |
9900 |
◊ |
B |
x,y,z |
1_555 |
31 |
12 |
9775 |
255.8 |
-0.8 |
0.736 |
2 |
0 |
0 |
0.000 |
| Average: |
275.4 |
-0.2 |
0.787 |
3 |
1 |
0 |
0.000 |
| 7 |
17 |
|
[MAE]A:301 |
8 |
1 |
241 |
◊ |
A |
x,y,z |
1_555 |
20 |
11 |
9750 |
133.5 |
2.5 |
0.512 |
6 |
0 |
0 |
0.006 |
| 8 |
18 |
|
[MAE]F:301 |
8 |
1 |
241 |
◊ |
F |
x,y,z |
1_555 |
22 |
13 |
9807 |
133.2 |
2.5 |
0.522 |
6 |
0 |
0 |
0.023 |
19 |
|
[MAE]C:301 |
8 |
1 |
241 |
◊ |
C |
x,y,z |
1_555 |
22 |
13 |
9836 |
131.5 |
2.2 |
0.519 |
6 |
0 |
0 |
0.023 |
| Average: |
132.4 |
2.3 |
0.520 |
6 |
0 |
0 |
0.023 |
| 9 |
20 |
|
[MAE]E:301 |
8 |
1 |
241 |
f |
E |
x,y,z |
1_555 |
20 |
11 |
9762 |
131.8 |
1.9 |
0.485 |
6 |
0 |
0 |
0.100 |
| 10 |
21 |
|
[MAE]G:301 |
8 |
1 |
243 |
f |
G |
x,y,z |
1_555 |
20 |
12 |
9713 |
131.8 |
2.2 |
0.493 |
7 |
0 |
0 |
0.081 |
| 11 |
22 |
|
[MAE]B:301 |
8 |
1 |
242 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
9775 |
131.8 |
1.8 |
0.462 |
6 |
0 |
0 |
0.100 |
| 12 |
23 |
|
[MAE]D:301 |
8 |
1 |
242 |
f |
D |
x,y,z |
1_555 |
20 |
11 |
9900 |
129.7 |
2.0 |
0.504 |
6 |
0 |
0 |
0.100 |
| 13 |
24 |
|
[MAE]H:301 |
8 |
1 |
242 |
f |
H |
x,y,z |
1_555 |
20 |
12 |
9798 |
129.0 |
2.2 |
0.494 |
6 |
0 |
0 |
0.100 |
| 14 |
25 |
|
E |
9 |
4 |
9762 |
◊ |
D |
x,-y,-z |
2_555 |
12 |
6 |
9900 |
78.2 |
-0.6 |
0.608 |
0 |
0 |
0 |
0.000 |
| 15 |
26 |
|
G |
7 |
3 |
9713 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
9836 |
58.8 |
-1.0 |
0.387 |
0 |
0 |
0 |
0.000 |
| 16 |
27 |
|
[MAE]H:301 |
4 |
1 |
242 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
9900 |
52.6 |
0.3 |
0.373 |
1 |
0 |
0 |
0.005 |
| 17 |
28 |
|
[MAE]B:301 |
4 |
1 |
242 |
◊ |
E |
x,y,z |
1_555 |
9 |
3 |
9762 |
50.8 |
1.0 |
0.476 |
2 |
0 |
0 |
0.000 |
| 18 |
29 |
|
[MAE]D:301 |
4 |
1 |
242 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
9798 |
47.3 |
0.9 |
0.494 |
1 |
0 |
0 |
0.000 |
| 19 |
30 |
|
[MAE]E:301 |
4 |
1 |
241 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
9775 |
47.1 |
0.9 |
0.495 |
1 |
0 |
0 |
0.000 |
| 20 |
31 |
|
[MAE]C:301 |
4 |
1 |
241 |
f |
F |
x,y,z |
1_555 |
7 |
3 |
9807 |
46.6 |
0.8 |
0.383 |
1 |
0 |
0 |
0.100 |
32 |
|
[MAE]F:301 |
4 |
1 |
241 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
9836 |
46.6 |
-0.1 |
0.226 |
1 |
0 |
0 |
0.100 |
| Average: |
46.6 |
0.4 |
0.305 |
1 |
0 |
0 |
0.100 |
| 21 |
33 |
|
[MAE]G:301 |
4 |
1 |
243 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
9750 |
46.2 |
1.2 |
0.505 |
1 |
0 |
0 |
0.000 |
| 22 |
34 |
|
[MAE]A:301 |
4 |
1 |
241 |
f |
G |
x,y,z |
1_555 |
7 |
3 |
9713 |
44.1 |
-0.2 |
0.200 |
0 |
0 |
0 |
0.019 |
| 23 |
35 |
|
G |
5 |
2 |
9713 |
◊ |
F |
-x-1,y-1/2,-z-1/2 |
3_444 |
2 |
1 |
9807 |
25.7 |
-0.2 |
0.393 |
0 |
0 |
0 |
0.000 |
| 24 |
36 |
|
D |
1 |
1 |
9900 |
◊ |
B |
x,-y,-z |
2_555 |
1 |
1 |
9775 |
2.1 |
0.0 |
0.594 |
0 |
0 |
0 |
0.000 |
37 |
|
C |
1 |
1 |
9836 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9750 |
2.1 |
-0.0 |
0.582 |
0 |
0 |
0 |
0.000 |
| Average: |
2.1 |
0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
|