| ## |
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 |
117 |
31 |
9945 |
◊ |
D |
x-1,y,z |
1_455 |
117 |
32 |
9571 |
1150.3 |
-15.4 |
0.176 |
20 |
10 |
0 |
0.330 |
2 |
|
A |
111 |
31 |
9818 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
114 |
31 |
9986 |
1119.0 |
-16.3 |
0.125 |
21 |
10 |
0 |
0.330 |
| Average: |
1134.7 |
-15.8 |
0.150 |
21 |
10 |
0 |
0.330 |
| 2 |
3 |
|
A |
57 |
16 |
9818 |
◊ |
C |
x,y-1,z |
1_545 |
55 |
16 |
9986 |
493.8 |
-7.2 |
0.271 |
2 |
0 |
0 |
0.000 |
| 3 |
4 |
|
A |
46 |
13 |
9818 |
◊ |
D |
x-1,y,z-1 |
1_454 |
36 |
13 |
9571 |
356.6 |
-3.3 |
0.492 |
1 |
1 |
0 |
0.000 |
5 |
|
B |
45 |
12 |
9945 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
35 |
12 |
9986 |
344.8 |
-3.5 |
0.446 |
0 |
0 |
0 |
0.000 |
| Average: |
350.7 |
-3.4 |
0.469 |
1 |
1 |
0 |
0.000 |
| 4 |
6 |
|
A |
44 |
15 |
9818 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
37 |
9 |
9986 |
345.4 |
-4.5 |
0.357 |
2 |
0 |
0 |
0.000 |
7 |
|
D |
33 |
8 |
9571 |
◊ |
B |
x,y,z |
1_555 |
31 |
11 |
9945 |
261.6 |
-2.4 |
0.529 |
2 |
0 |
0 |
0.000 |
| Average: |
303.5 |
-3.4 |
0.443 |
2 |
0 |
0 |
0.000 |
| 5 |
8 |
|
C |
28 |
9 |
9986 |
◊ |
B |
x,y,z |
1_555 |
26 |
7 |
9945 |
228.5 |
0.6 |
0.782 |
3 |
2 |
0 |
0.000 |
| 6 |
9 |
|
B |
12 |
5 |
9945 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
4 |
9571 |
113.7 |
-0.3 |
0.540 |
1 |
2 |
0 |
0.000 |
| 7 |
10 |
|
C |
14 |
5 |
9986 |
x |
C |
-x+1,y-1/2,-z |
2_645 |
10 |
3 |
9986 |
105.0 |
-1.7 |
0.363 |
0 |
0 |
0 |
0.000 |
| 8 |
11 |
|
A |
12 |
5 |
9818 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
8 |
4 |
9945 |
104.8 |
1.3 |
0.866 |
2 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[FE]B:302 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
9945 |
60.2 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.269 |
13 |
|
[FE]C:301 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
9986 |
57.1 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.269 |
14 |
|
[FE]D:301 |
1 |
1 |
137 |
cf |
D |
x,y,z |
1_555 |
6 |
4 |
9571 |
56.1 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.269 |
15 |
|
[FE]A:302 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
9818 |
55.7 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.269 |
| Average: |
57.3 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.269 |
| 10 |
16 |
|
B |
8 |
3 |
9945 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
9818 |
59.8 |
0.5 |
0.780 |
0 |
3 |
0 |
0.000 |
| 11 |
17 |
|
A |
9 |
5 |
9818 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
8 |
5 |
9571 |
56.8 |
0.6 |
0.790 |
0 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[FE]B:301 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
9945 |
56.7 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.269 |
19 |
|
[FE]C:302 |
1 |
1 |
137 |
cf |
C |
x,y,z |
1_555 |
6 |
5 |
9986 |
56.6 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.269 |
20 |
|
[FE]A:301 |
1 |
1 |
137 |
cf |
A |
x,y,z |
1_555 |
8 |
5 |
9818 |
55.8 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.269 |
21 |
|
[FE]D:302 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
5 |
5 |
9571 |
55.7 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.269 |
| Average: |
56.2 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.269 |
| 13 |
22 |
|
A |
3 |
1 |
9818 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
1 |
9945 |
38.0 |
1.2 |
0.915 |
0 |
0 |
0 |
0.000 |
| 14 |
23 |
|
D |
8 |
3 |
9571 |
x |
D |
-x+2,y-1/2,-z+1 |
2_746 |
5 |
4 |
9571 |
36.9 |
-0.6 |
0.507 |
0 |
0 |
0 |
0.000 |
| 15 |
24 |
|
A |
4 |
2 |
9818 |
x |
A |
-x,y-1/2,-z |
2_545 |
4 |
2 |
9818 |
32.6 |
0.2 |
0.622 |
0 |
0 |
0 |
0.000 |
| 16 |
25 |
|
[FE]D:302 |
1 |
1 |
137 |
f |
[FE]D:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
28.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.071 |
| 17 |
26 |
|
[FE]C:302 |
1 |
1 |
137 |
f |
[FE]C:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
28.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.069 |
| 18 |
27 |
|
[FE]B:302 |
1 |
1 |
137 |
f |
[FE]B:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
28.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.071 |
| 19 |
28 |
|
[FE]A:302 |
1 |
1 |
137 |
f |
[FE]A:301 |
x,y,z |
1_555 |
1 |
1 |
137 |
27.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.068 |
| 20 |
29 |
|
D |
1 |
1 |
9571 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
9986 |
1.8 |
-0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
|