| ## |
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 |
391 |
103 |
17873 |
◊ |
A |
x,y,z |
1_555 |
392 |
103 |
17673 |
3808.2 |
-28.0 |
0.098 |
62 |
10 |
0 |
0.172 |
| 2 |
2 |
|
A |
79 |
21 |
17673 |
◊ |
A |
-x+1,y,-z+1 |
3_656 |
79 |
21 |
17673 |
695.9 |
-3.6 |
0.438 |
4 |
4 |
0 |
0.000 |
| 3 |
3 |
|
B |
38 |
14 |
17873 |
◊ |
B |
x,-y,-z+1 |
4_556 |
38 |
14 |
17873 |
412.4 |
-2.0 |
0.444 |
2 |
2 |
0 |
0.000 |
| 4 |
4 |
|
A |
40 |
12 |
17673 |
x |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
47 |
17 |
17673 |
395.6 |
-1.9 |
0.410 |
3 |
0 |
0 |
0.000 |
| 5 |
5 |
|
B |
35 |
13 |
17873 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
31 |
9 |
17673 |
344.8 |
-0.4 |
0.602 |
3 |
0 |
0 |
0.000 |
| 6 |
6 |
|
B |
22 |
6 |
17873 |
◊ |
B |
x,-y,-z |
4_555 |
22 |
6 |
17873 |
182.5 |
-1.0 |
0.493 |
0 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[PO4]B:956 |
5 |
1 |
188 |
cf |
B |
x,y,z |
1_555 |
14 |
9 |
17873 |
88.3 |
-5.1 |
0.796 |
5 |
0 |
0 |
0.044 |
8 |
|
[PO4]A:456 |
5 |
1 |
187 |
cf |
A |
x,y,z |
1_555 |
16 |
9 |
17673 |
88.1 |
-4.9 |
0.799 |
5 |
0 |
0 |
0.044 |
| Average: |
88.2 |
-5.0 |
0.797 |
5 |
0 |
0 |
0.044 |
| 8 |
9 |
|
[SO4]B:958 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
17873 |
87.6 |
-12.5 |
0.901 |
5 |
0 |
0 |
0.044 |
| 9 |
10 |
|
[SO4]A:458 |
5 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
17673 |
87.0 |
-11.7 |
0.917 |
6 |
0 |
0 |
0.043 |
| 10 |
11 |
|
[MG]B:962 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
17873 |
45.5 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.050 |
12 |
|
[MG]A:462 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
17673 |
45.1 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.050 |
| Average: |
45.3 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.050 |
| 11 |
13 |
|
[ZN]B:952 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
17873 |
45.5 |
-33.1 |
0.000 |
0 |
0 |
0 |
0.198 |
14 |
|
[ZN]A:452 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
17673 |
45.1 |
-32.6 |
0.000 |
0 |
0 |
0 |
0.198 |
| Average: |
45.3 |
-32.9 |
0.000 |
0 |
0 |
0 |
0.198 |
| 12 |
15 |
|
[ZN]A:450 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
17673 |
34.3 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.143 |
16 |
|
[ZN]B:950 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
17873 |
34.1 |
-23.7 |
0.000 |
0 |
0 |
0 |
0.143 |
| Average: |
34.2 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.143 |
| 13 |
17 |
|
B |
5 |
1 |
17873 |
◊ |
[SO4]A:458 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
3 |
1 |
182 |
31.1 |
-3.9 |
0.562 |
0 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[PO4]B:956 |
1 |
1 |
188 |
cf |
[ZN]B:951 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.5 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.086 |
19 |
|
[PO4]A:456 |
1 |
1 |
187 |
cf |
[ZN]A:451 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.3 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.086 |
| Average: |
28.4 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.086 |
| 15 |
20 |
|
[PO4]B:956 |
3 |
1 |
188 |
cf |
[ZN]B:950 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.076 |
21 |
|
[PO4]A:456 |
3 |
1 |
187 |
cf |
[ZN]A:450 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.2 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.076 |
| Average: |
25.5 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.076 |
| 16 |
22 |
|
[ZN]A:451 |
1 |
1 |
98 |
f |
[ZN]A:450 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.8 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.029 |
| 17 |
23 |
|
[ZN]B:951 |
1 |
1 |
98 |
f |
[ZN]B:950 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.5 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.028 |
| 18 |
24 |
|
[PO4]A:456 |
3 |
1 |
187 |
f |
[MG]A:462 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.009 |
25 |
|
[PO4]B:956 |
2 |
1 |
188 |
f |
[MG]B:962 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.009 |
| Average: |
9.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.009 |
| 19 |
26 |
|
[PO4]A:456 |
3 |
1 |
187 |
f |
[ZN]A:452 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.027 |
27 |
|
[PO4]B:956 |
2 |
1 |
188 |
f |
[ZN]B:952 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.027 |
| Average: |
9.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.027 |
| 20 |
28 |
|
[MG]B:962 |
1 |
1 |
98 |
f |
[ZN]B:951 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.010 |
| 21 |
29 |
|
[ZN]B:952 |
1 |
1 |
98 |
f |
[ZN]B:951 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.015 |
| 22 |
30 |
|
[ZN]A:452 |
1 |
1 |
98 |
f |
[ZN]A:451 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.015 |
| 23 |
31 |
|
[MG]A:462 |
1 |
1 |
98 |
f |
[ZN]A:451 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.010 |
|