| ## |
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 |
128 |
29 |
9337 |
◊ |
A |
x,y,z |
1_555 |
137 |
31 |
9466 |
1194.3 |
-16.5 |
0.293 |
12 |
4 |
0 |
0.118 |
| 2 |
2 |
|
B |
71 |
25 |
9337 |
◊ |
A |
-x+1,y,-z+2 |
2_657 |
74 |
27 |
9466 |
690.7 |
-3.4 |
0.729 |
9 |
4 |
0 |
0.040 |
| 3 |
3 |
|
[24F]A:400 |
33 |
1 |
750 |
f |
A |
x,y,z |
1_555 |
74 |
25 |
9466 |
487.6 |
-12.1 |
0.475 |
4 |
0 |
0 |
0.141 |
4 |
|
[24F]B:400 |
34 |
1 |
758 |
f |
B |
x,y,z |
1_555 |
73 |
25 |
9337 |
484.4 |
-11.2 |
0.549 |
4 |
0 |
0 |
0.141 |
| Average: |
486.0 |
-11.6 |
0.512 |
4 |
0 |
0 |
0.141 |
| 4 |
5 |
|
B |
44 |
14 |
9337 |
x |
B |
x,y-1,z |
1_545 |
33 |
13 |
9337 |
323.0 |
-3.3 |
0.557 |
1 |
0 |
0 |
0.000 |
| 5 |
6 |
|
A |
23 |
10 |
9466 |
x |
A |
x,y-1,z |
1_545 |
21 |
8 |
9466 |
251.4 |
-3.5 |
0.212 |
1 |
0 |
0 |
0.000 |
| 6 |
7 |
|
A |
25 |
11 |
9466 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
27 |
8 |
9466 |
235.8 |
-0.6 |
0.656 |
3 |
0 |
0 |
0.000 |
| 7 |
8 |
|
A |
24 |
10 |
9466 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
22 |
8 |
9337 |
188.2 |
-2.3 |
0.490 |
1 |
0 |
0 |
0.000 |
| 8 |
9 |
|
A |
27 |
6 |
9466 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
17 |
4 |
9337 |
176.7 |
-0.3 |
0.726 |
5 |
1 |
0 |
0.000 |
| 9 |
10 |
|
B |
13 |
5 |
9337 |
x |
B |
-x+3/2,y-1/2,-z+2 |
4_647 |
21 |
5 |
9337 |
174.3 |
1.1 |
0.726 |
2 |
0 |
0 |
0.000 |
| 10 |
11 |
|
B |
11 |
5 |
9337 |
◊ |
A |
-x+1,y-1,-z+2 |
2_647 |
20 |
8 |
9466 |
151.0 |
-0.1 |
0.686 |
2 |
0 |
0 |
0.000 |
| 11 |
12 |
|
A |
9 |
3 |
9466 |
◊ |
A |
-x+1,y,-z+2 |
2_657 |
9 |
3 |
9466 |
84.8 |
-2.0 |
0.266 |
0 |
0 |
0 |
0.005 |
| 12 |
13 |
|
B |
6 |
2 |
9337 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
6 |
2 |
9337 |
67.1 |
-2.1 |
0.148 |
0 |
0 |
0 |
0.005 |
| 13 |
14 |
|
[CA]A:304 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
7 |
9466 |
45.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.127 |
15 |
|
[CA]B:304 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
9337 |
45.0 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.127 |
| Average: |
45.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.127 |
| 14 |
16 |
|
[CA]A:305 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
9466 |
44.9 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.048 |
| 15 |
17 |
|
[CA]A:303 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
9466 |
44.4 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.125 |
18 |
|
[CA]B:303 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
9337 |
44.2 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.125 |
| Average: |
44.3 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.125 |
| 16 |
19 |
|
[24F]B:400 |
7 |
1 |
758 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
9466 |
42.9 |
-1.6 |
0.463 |
0 |
0 |
0 |
0.008 |
| 17 |
20 |
|
[ZN]B:300 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
9337 |
36.6 |
-25.6 |
0.000 |
0 |
0 |
0 |
0.268 |
21 |
|
[ZN]A:300 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
9466 |
36.5 |
-25.5 |
0.000 |
0 |
0 |
0 |
0.268 |
| Average: |
36.6 |
-25.6 |
0.000 |
0 |
0 |
0 |
0.268 |
| 18 |
22 |
|
[24F]B:400 |
8 |
1 |
758 |
f |
[ZN]B:300 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.5 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.155 |
23 |
|
[24F]A:400 |
9 |
1 |
750 |
f |
[ZN]A:300 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.9 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.155 |
| Average: |
32.2 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.155 |
| 19 |
24 |
|
[24F]B:400 |
1 |
1 |
758 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| 20 |
25 |
|
[CA]B:303 |
1 |
1 |
85 |
◊ |
A |
-x+1,y,-z+2 |
2_657 |
1 |
1 |
9466 |
1.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|