## |
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 |
398 |
102 |
17626 |
◊ |
A |
x,y,z |
1_555 |
397 |
103 |
17741 |
3772.4 |
-26.6 |
0.201 |
61 |
9 |
0 |
0.260 |
2 |
|
D |
386 |
102 |
17586 |
◊ |
C |
x,y,z |
1_555 |
395 |
102 |
17581 |
3769.6 |
-26.9 |
0.177 |
63 |
10 |
0 |
0.260 |
Average: |
3771.0 |
-26.8 |
0.189 |
62 |
10 |
0 |
0.260 |
2 |
3 |
|
D |
67 |
23 |
17586 |
◊ |
A |
x-1,y,z |
1_455 |
67 |
22 |
17741 |
557.8 |
-3.8 |
0.435 |
3 |
3 |
0 |
0.000 |
3 |
4 |
|
B |
31 |
10 |
17626 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
44 |
15 |
17741 |
362.6 |
-6.1 |
0.083 |
1 |
0 |
0 |
0.000 |
4 |
5 |
|
D |
32 |
10 |
17586 |
x |
D |
-x-1,y-1/2,-z |
2_445 |
37 |
11 |
17586 |
304.4 |
-0.1 |
0.671 |
6 |
0 |
0 |
0.000 |
5 |
6 |
|
C |
29 |
12 |
17581 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
34 |
10 |
17626 |
284.7 |
0.4 |
0.677 |
6 |
0 |
0 |
0.000 |
6 |
7 |
|
B |
18 |
8 |
17626 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
23 |
8 |
17741 |
214.8 |
-0.4 |
0.603 |
3 |
2 |
0 |
0.000 |
7 |
8 |
|
C |
30 |
11 |
17581 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
19 |
8 |
17586 |
207.4 |
1.5 |
0.790 |
1 |
0 |
0 |
0.000 |
8 |
9 |
|
[PO4]B:508 |
5 |
1 |
190 |
cf |
B |
x,y,z |
1_555 |
17 |
9 |
17626 |
93.7 |
-5.4 |
0.798 |
5 |
0 |
0 |
0.035 |
9 |
10 |
|
[PO4]D:516 |
5 |
1 |
189 |
cf |
D |
x,y,z |
1_555 |
16 |
9 |
17586 |
93.0 |
-5.3 |
0.804 |
5 |
0 |
0 |
0.035 |
10 |
11 |
|
[PO4]A:504 |
5 |
1 |
188 |
cf |
A |
x,y,z |
1_555 |
17 |
9 |
17741 |
92.9 |
-5.4 |
0.799 |
5 |
0 |
0 |
0.035 |
11 |
12 |
|
[PO4]C:512 |
5 |
1 |
188 |
cf |
C |
x,y,z |
1_555 |
16 |
9 |
17581 |
92.0 |
-5.4 |
0.797 |
5 |
0 |
0 |
0.035 |
12 |
13 |
|
[MG]D:515 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
17586 |
47.1 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.077 |
14 |
|
[MG]B:507 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
17626 |
46.7 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.077 |
15 |
|
[MG]C:511 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
17581 |
46.6 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.077 |
16 |
|
[MG]A:503 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
17741 |
46.5 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.077 |
Average: |
46.7 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.077 |
13 |
17 |
|
C |
7 |
4 |
17581 |
x |
C |
x-1,y,z |
1_455 |
3 |
1 |
17581 |
46.6 |
1.2 |
0.788 |
1 |
1 |
0 |
0.000 |
18 |
|
B |
4 |
1 |
17626 |
x |
B |
x-1,y,z |
1_455 |
5 |
3 |
17626 |
39.4 |
1.3 |
0.858 |
1 |
2 |
0 |
0.000 |
Average: |
43.0 |
1.2 |
0.823 |
1 |
2 |
0 |
0.000 |
14 |
19 |
|
[ZN]D:514 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
17586 |
34.6 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.218 |
20 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
17741 |
34.4 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.218 |
21 |
|
[ZN]C:510 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
4 |
17581 |
34.4 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.218 |
22 |
|
[ZN]B:505 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
17626 |
34.2 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.218 |
Average: |
34.4 |
-23.7 |
0.000 |
0 |
0 |
0 |
0.218 |
15 |
23 |
|
[PO4]B:508 |
3 |
1 |
190 |
f |
[ZN]B:506 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.6 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.131 |
24 |
|
[PO4]A:504 |
2 |
1 |
188 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.1 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.131 |
25 |
|
[PO4]C:512 |
3 |
1 |
188 |
cf |
[ZN]C:510 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.4 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.131 |
Average: |
27.7 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.131 |
16 |
26 |
|
[PO4]D:516 |
4 |
1 |
189 |
f |
[ZN]D:513 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.4 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.066 |
27 |
|
[PO4]B:508 |
3 |
1 |
190 |
cf |
[ZN]B:505 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.7 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.066 |
Average: |
27.5 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.066 |
17 |
28 |
|
[PO4]C:512 |
1 |
1 |
188 |
f |
[ZN]C:509 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.3 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.065 |
18 |
29 |
|
[PO4]A:504 |
3 |
1 |
188 |
cf |
[ZN]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.7 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.061 |
19 |
30 |
|
[PO4]D:516 |
3 |
1 |
189 |
cf |
[ZN]D:514 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.5 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.061 |
20 |
31 |
|
C |
3 |
1 |
17581 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
2 |
1 |
17586 |
12.4 |
0.3 |
0.775 |
0 |
0 |
0 |
0.000 |
21 |
32 |
|
[ZN]B:506 |
1 |
1 |
98 |
f |
[ZN]B:505 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.7 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.039 |
22 |
33 |
|
[ZN]C:510 |
1 |
1 |
98 |
f |
[ZN]C:509 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.6 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.039 |
23 |
34 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.6 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.039 |
24 |
35 |
|
[ZN]D:514 |
1 |
1 |
98 |
f |
[ZN]D:513 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.5 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.039 |
25 |
36 |
|
[PO4]C:512 |
2 |
1 |
188 |
f |
[MG]C:511 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.007 |
26 |
37 |
|
[PO4]A:504 |
2 |
1 |
188 |
f |
[MG]A:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.007 |
38 |
|
[PO4]D:516 |
2 |
1 |
189 |
f |
[MG]D:515 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
9.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.007 |
27 |
39 |
|
[PO4]B:508 |
3 |
1 |
190 |
f |
[MG]B:507 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.007 |
28 |
40 |
|
[MG]A:503 |
1 |
1 |
98 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.018 |
29 |
41 |
|
[MG]C:511 |
1 |
1 |
98 |
f |
[ZN]C:509 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.017 |
30 |
42 |
|
[MG]D:515 |
1 |
1 |
98 |
f |
[ZN]D:513 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.017 |
31 |
43 |
|
[MG]B:507 |
1 |
1 |
98 |
f |
[ZN]B:506 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.017 |
|