| ## |
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 |
101 |
26 |
11369 |
◊ |
A |
x,y,z |
1_555 |
100 |
26 |
11141 |
978.2 |
-13.1 |
0.066 |
12 |
8 |
0 |
0.107 |
| 2 |
2 |
|
A |
86 |
22 |
11141 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
86 |
22 |
11141 |
743.9 |
-10.3 |
0.121 |
6 |
0 |
0 |
0.062 |
3 |
|
B |
88 |
23 |
11369 |
◊ |
B |
-x+1,-y+1,z |
2_665 |
86 |
23 |
11369 |
741.6 |
-10.5 |
0.103 |
2 |
0 |
0 |
0.062 |
| Average: |
742.7 |
-10.4 |
0.112 |
4 |
0 |
0 |
0.062 |
| 3 |
4 |
|
B |
52 |
13 |
11369 |
◊ |
A |
-x+3/2,y-1/2,-z+2 |
3_647 |
51 |
14 |
11141 |
472.8 |
-0.0 |
0.633 |
6 |
10 |
0 |
0.000 |
| 4 |
5 |
|
B |
18 |
5 |
11369 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
17 |
6 |
11369 |
157.6 |
-2.3 |
0.264 |
1 |
0 |
0 |
0.000 |
| 5 |
6 |
|
B |
9 |
4 |
11369 |
◊ |
A |
-x+1,-y+1,z-1 |
2_664 |
10 |
5 |
11141 |
112.0 |
3.9 |
0.974 |
4 |
6 |
0 |
0.000 |
| 6 |
7 |
|
[GOL]A:2003 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
11141 |
109.2 |
-0.7 |
0.481 |
3 |
0 |
0 |
0.011 |
| 7 |
8 |
|
A |
11 |
3 |
11141 |
◊ |
A |
-x+2,-y+1,z |
2_765 |
10 |
2 |
11141 |
101.5 |
1.0 |
0.793 |
2 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[PO4]B:2002 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
22 |
13 |
11369 |
91.5 |
-8.1 |
0.032 |
4 |
0 |
0 |
0.054 |
| 9 |
10 |
|
[PO4]A:2001 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
22 |
12 |
11141 |
91.2 |
-6.2 |
0.382 |
4 |
0 |
0 |
0.044 |
| 10 |
11 |
|
B |
7 |
3 |
11369 |
x |
B |
-x+3/2,y-1/2,-z+1 |
3_646 |
7 |
4 |
11369 |
52.3 |
0.9 |
0.786 |
1 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[FE]A:502 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
11141 |
50.8 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.104 |
13 |
|
[FE]B:1502 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
11369 |
50.1 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.104 |
| Average: |
50.4 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.104 |
| 12 |
14 |
|
[FE]A:503 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
11141 |
45.8 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.095 |
15 |
|
[FE]B:1503 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
11369 |
45.5 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.095 |
| Average: |
45.7 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.095 |
| 13 |
16 |
|
[ZN]B:1501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
11369 |
34.1 |
-23.7 |
0.000 |
0 |
0 |
0 |
0.257 |
17 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
11141 |
34.0 |
-23.3 |
0.000 |
0 |
0 |
0 |
0.257 |
| Average: |
34.1 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.257 |
| 14 |
18 |
|
[PO4]B:2002 |
4 |
1 |
187 |
f |
[FE]B:1502 |
x,y,z |
1_555 |
1 |
1 |
137 |
29.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.024 |
| 15 |
19 |
|
[PO4]A:2001 |
4 |
1 |
187 |
f |
[FE]A:502 |
x,y,z |
1_555 |
1 |
1 |
137 |
28.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.023 |
| 16 |
20 |
|
[PO4]B:2002 |
4 |
1 |
187 |
f |
[FE]B:1503 |
x,y,z |
1_555 |
1 |
1 |
137 |
26.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.021 |
| 17 |
21 |
|
[PO4]A:2001 |
4 |
1 |
187 |
f |
[FE]A:503 |
x,y,z |
1_555 |
1 |
1 |
137 |
26.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.021 |
| 18 |
22 |
|
[PO4]A:2001 |
3 |
1 |
187 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.1 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.067 |
| 19 |
23 |
|
[PO4]B:2002 |
3 |
1 |
187 |
f |
[ZN]B:1501 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.9 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.067 |
| 20 |
24 |
|
[FE]B:1503 |
1 |
1 |
137 |
f |
[FE]B:1502 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.023 |
| 21 |
25 |
|
[FE]A:503 |
1 |
1 |
137 |
f |
[FE]A:502 |
x,y,z |
1_555 |
1 |
1 |
137 |
20.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.023 |
| 22 |
26 |
|
[GOL]A:2003 |
3 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
11369 |
16.9 |
0.2 |
0.685 |
0 |
0 |
0 |
0.000 |
| 23 |
27 |
|
[FE]A:503 |
1 |
1 |
137 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.024 |
| 24 |
28 |
|
[FE]B:1503 |
1 |
1 |
137 |
f |
[ZN]B:1501 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.024 |
| 25 |
29 |
|
[FE]B:1502 |
1 |
1 |
137 |
f |
[ZN]B:1501 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.007 |
| 26 |
30 |
|
[FE]A:502 |
1 |
1 |
137 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.005 |
|