## |
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 |
53 |
16 |
8022 |
x |
B |
-y+2,x-y+1,z |
2_765 |
54 |
18 |
8022 |
492.5 |
-7.2 |
0.186 |
2 |
0 |
0 |
0.011 |
2 |
|
A |
52 |
18 |
8158 |
x |
A |
-y+2,x-y+1,z |
2_765 |
50 |
14 |
8158 |
472.3 |
-6.8 |
0.172 |
2 |
0 |
0 |
0.011 |
Average: |
482.4 |
-7.0 |
0.179 |
2 |
0 |
0 |
0.011 |
2 |
3 |
|
[DEO]B:1 |
34 |
1 |
723 |
f |
B |
x,y,z |
1_555 |
71 |
25 |
8022 |
455.5 |
-0.7 |
0.226 |
5 |
0 |
0 |
0.004 |
4 |
|
[DEO]A:1 |
34 |
1 |
723 |
f |
A |
x,y,z |
1_555 |
69 |
25 |
8158 |
453.5 |
-0.6 |
0.217 |
5 |
0 |
0 |
0.004 |
Average: |
454.5 |
-0.6 |
0.222 |
5 |
0 |
0 |
0.004 |
3 |
5 |
|
A |
49 |
12 |
8158 |
◊ |
B |
x,y,z-1 |
1_554 |
51 |
13 |
8022 |
428.2 |
3.1 |
0.895 |
6 |
9 |
0 |
0.000 |
4 |
6 |
|
B |
48 |
18 |
8022 |
◊ |
A |
x,y,z |
1_555 |
49 |
18 |
8158 |
427.5 |
-4.9 |
0.324 |
5 |
0 |
0 |
0.000 |
5 |
7 |
|
B |
28 |
10 |
8022 |
◊ |
A |
-x+y+2/3,-x+4/3,z+1/3 |
6_565 |
27 |
11 |
8158 |
268.5 |
1.9 |
0.832 |
2 |
4 |
0 |
0.000 |
6 |
8 |
|
A |
28 |
7 |
8158 |
◊ |
B |
-x+y+2/3,-x+4/3,z-2/3 |
6_564 |
29 |
7 |
8022 |
240.2 |
-3.2 |
0.315 |
2 |
0 |
0 |
0.000 |
7 |
9 |
|
A |
8 |
1 |
8158 |
◊ |
B |
-y+2,x-y+1,z |
2_765 |
8 |
1 |
8022 |
59.6 |
-1.9 |
0.189 |
0 |
0 |
0 |
0.000 |
8 |
10 |
|
B |
5 |
1 |
8022 |
◊ |
A |
-y+2,x-y+1,z |
2_765 |
5 |
1 |
8158 |
55.1 |
1.9 |
0.930 |
0 |
0 |
0 |
0.000 |
9 |
11 |
|
[CA]A:403 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
7 |
8158 |
45.6 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.018 |
12 |
|
[CA]B:503 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
6 |
8022 |
44.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.018 |
Average: |
44.8 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.018 |
10 |
13 |
|
[CA]B:504 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
8022 |
43.5 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.017 |
14 |
|
[CA]A:404 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
8158 |
43.3 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.017 |
Average: |
43.4 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.017 |
11 |
15 |
|
[DEO]B:1 |
8 |
1 |
723 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
8158 |
39.3 |
1.1 |
0.506 |
0 |
0 |
0 |
0.000 |
16 |
|
[DEO]A:1 |
8 |
1 |
723 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
8022 |
38.4 |
1.0 |
0.494 |
0 |
0 |
0 |
0.000 |
Average: |
38.8 |
1.1 |
0.500 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[DEO]B:1 |
10 |
1 |
723 |
f |
[ZN]B:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.7 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.025 |
18 |
|
[DEO]A:1 |
10 |
1 |
723 |
f |
[ZN]A:400 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.1 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.025 |
Average: |
34.4 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.025 |
13 |
19 |
|
[ZN]A:400 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
8158 |
34.6 |
-23.3 |
0.000 |
0 |
0 |
0 |
0.035 |
20 |
|
[ZN]B:500 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
8022 |
34.2 |
-23.4 |
0.000 |
0 |
0 |
0 |
0.035 |
Average: |
34.4 |
-23.4 |
0.000 |
0 |
0 |
0 |
0.035 |
14 |
21 |
|
[DEO]B:1 |
1 |
1 |
723 |
◊ |
[DEO]A:1 |
x,y,z |
1_555 |
1 |
1 |
723 |
7.6 |
0.5 |
0.600 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
B |
1 |
1 |
8022 |
x |
B |
-x+y+2/3,-x+4/3,z+1/3 |
6_565 |
2 |
1 |
8022 |
7.4 |
-0.2 |
0.334 |
0 |
0 |
0 |
0.000 |
23 |
|
A |
1 |
1 |
8158 |
x |
A |
-x+y+2/3,-x+4/3,z+1/3 |
6_565 |
1 |
1 |
8158 |
5.4 |
-0.2 |
0.325 |
0 |
0 |
0 |
0.000 |
Average: |
6.4 |
-0.2 |
0.329 |
0 |
0 |
0 |
0.000 |
16 |
24 |
|
[DEO]B:1 |
1 |
1 |
723 |
◊ |
A |
-x+y+2/3,-x+4/3,z+1/3 |
6_565 |
2 |
1 |
8158 |
4.8 |
-0.1 |
0.505 |
0 |
0 |
0 |
0.000 |
25 |
|
B |
1 |
1 |
8022 |
◊ |
[DEO]A:1 |
-x+y+2/3,-x+4/3,z+1/3 |
6_565 |
1 |
1 |
723 |
0.6 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
Average: |
2.7 |
-0.0 |
0.502 |
0 |
0 |
0 |
0.000 |
|