## |
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 |
219 |
59 |
14040 |
◊ |
A |
x,y,z |
1_555 |
226 |
59 |
14396 |
2262.6 |
-15.2 |
0.599 |
40 |
2 |
0 |
0.172 |
2 |
2 |
|
A |
38 |
16 |
14396 |
◊ |
B |
-x+1/2,-y+2,z-1/2 |
2_574 |
39 |
15 |
14040 |
335.8 |
2.4 |
0.882 |
5 |
2 |
0 |
0.000 |
3 |
3 |
|
B |
42 |
14 |
14040 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
29 |
9 |
14396 |
333.0 |
-0.8 |
0.625 |
3 |
0 |
0 |
0.000 |
4 |
4 |
|
A |
46 |
13 |
14396 |
◊ |
B |
x-1/2,-y+5/2,-z |
4_475 |
18 |
7 |
14040 |
326.1 |
-5.5 |
0.035 |
5 |
0 |
0 |
0.000 |
5 |
5 |
|
A |
20 |
5 |
14396 |
x |
A |
x-1/2,-y+5/2,-z |
4_475 |
19 |
9 |
14396 |
208.9 |
0.3 |
0.744 |
1 |
2 |
0 |
0.000 |
6 |
6 |
|
[PEG]A:404 |
7 |
1 |
262 |
f |
A |
x,y,z |
1_555 |
37 |
14 |
14396 |
165.0 |
2.8 |
0.484 |
0 |
0 |
0 |
0.000 |
7 |
7 |
|
[PEG]B:404 |
7 |
1 |
261 |
f |
B |
x,y,z |
1_555 |
38 |
13 |
14040 |
163.9 |
2.6 |
0.463 |
1 |
0 |
0 |
0.000 |
8 |
8 |
|
B |
17 |
7 |
14040 |
x |
B |
x-1/2,-y+5/2,-z+1 |
4_476 |
20 |
6 |
14040 |
163.7 |
-1.2 |
0.557 |
1 |
0 |
0 |
0.000 |
9 |
9 |
|
A |
15 |
5 |
14396 |
◊ |
B |
x-1/2,-y+5/2,-z+1 |
4_476 |
16 |
5 |
14040 |
141.8 |
-0.3 |
0.664 |
4 |
0 |
0 |
0.000 |
10 |
10 |
|
B |
5 |
1 |
14040 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
4 |
14396 |
62.3 |
0.8 |
0.790 |
1 |
0 |
0 |
0.000 |
11 |
11 |
|
B |
7 |
4 |
14040 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
8 |
5 |
14040 |
60.8 |
0.8 |
0.788 |
2 |
0 |
0 |
0.000 |
12 |
12 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
14396 |
38.5 |
-29.2 |
0.000 |
0 |
0 |
0 |
0.571 |
13 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
14040 |
37.5 |
-28.5 |
0.000 |
0 |
0 |
0 |
0.571 |
14 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
14396 |
36.0 |
-26.8 |
0.000 |
0 |
0 |
0 |
0.571 |
15 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
14040 |
34.7 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.571 |
Average: |
36.7 |
-27.6 |
0.000 |
0 |
0 |
0 |
0.571 |
13 |
16 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
14040 |
30.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.033 |
17 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
14396 |
29.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.033 |
Average: |
30.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.033 |
14 |
18 |
|
[PEG]B:404 |
4 |
1 |
261 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.081 |
19 |
|
[PEG]A:404 |
4 |
1 |
262 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.081 |
20 |
|
[PEG]B:404 |
4 |
1 |
261 |
f |
[ZN]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.081 |
Average: |
14.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.081 |
15 |
21 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.4 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.068 |
16 |
22 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.3 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.068 |
17 |
23 |
|
[MG]B:403 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
14396 |
15.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.013 |
24 |
|
[MG]A:403 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
14040 |
12.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
13.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.013 |
18 |
25 |
|
[PEG]A:404 |
4 |
1 |
262 |
f |
[ZN]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.019 |
19 |
26 |
|
A |
2 |
1 |
14396 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
14396 |
10.7 |
-0.3 |
0.370 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
A |
2 |
2 |
14396 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
14040 |
10.1 |
-0.3 |
0.379 |
0 |
0 |
0 |
0.000 |
|