| ## |
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 |
|
A |
67 |
21 |
7819 |
◊ |
A |
-x+1,y,-z+1 |
5_656 |
67 |
21 |
7819 |
590.4 |
0.0 |
0.483 |
6 |
0 |
0 |
0.000 |
| 2 |
2 |
|
B |
68 |
25 |
7899 |
◊ |
B |
-x+1,y,-z+1 |
5_656 |
67 |
24 |
7899 |
552.1 |
-0.9 |
0.423 |
6 |
0 |
0 |
0.000 |
| 3 |
3 |
|
A |
45 |
13 |
7819 |
◊ |
A |
-x,y,-z+1 |
5_556 |
45 |
13 |
7819 |
428.5 |
-1.6 |
0.370 |
2 |
0 |
0 |
0.000 |
| 4 |
4 |
|
B |
46 |
10 |
7899 |
◊ |
A |
x,y,z |
1_555 |
47 |
9 |
7819 |
420.7 |
-3.2 |
0.249 |
2 |
0 |
0 |
0.000 |
| 5 |
5 |
|
B |
36 |
14 |
7899 |
◊ |
A |
-y+1,x+1,z-1/4 |
3_664 |
35 |
8 |
7819 |
334.1 |
0.0 |
0.398 |
6 |
0 |
0 |
0.000 |
| 6 |
6 |
|
B |
22 |
7 |
7899 |
◊ |
A |
-y+1,-x+1,-z+3/4 |
8_665 |
26 |
9 |
7819 |
245.6 |
-0.2 |
0.485 |
3 |
0 |
0 |
0.000 |
| 7 |
7 |
|
[CIT]A:301 |
12 |
1 |
330 |
f |
A |
x,y,z |
1_555 |
24 |
11 |
7819 |
178.0 |
0.6 |
0.359 |
4 |
0 |
0 |
0.100 |
| 8 |
8 |
|
[CIT]B:301 |
12 |
1 |
332 |
f |
B |
x,y,z |
1_555 |
28 |
12 |
7899 |
169.4 |
0.7 |
0.374 |
5 |
0 |
0 |
0.100 |
| 9 |
9 |
|
B |
15 |
6 |
7899 |
◊ |
B |
-y+2,-x+2,-z+3/4 |
8_775 |
15 |
6 |
7899 |
119.2 |
-0.3 |
0.501 |
0 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[CIT]A:302 |
12 |
1 |
356 |
f |
[CIT]A:302 |
-x+1,y,-z+1 |
5_656 |
12 |
1 |
356 |
106.6 |
2.3 |
0.382 |
0 |
0 |
0 |
0.000 |
| 11 |
11 |
|
A |
9 |
4 |
7819 |
◊ |
A |
-y+1,-x+1,-z+3/4 |
8_665 |
9 |
4 |
7819 |
105.6 |
1.3 |
0.757 |
0 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[CIT]A:302 |
10 |
1 |
356 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
7819 |
96.1 |
1.9 |
0.576 |
3 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[CIT]B:302 |
12 |
1 |
354 |
◊ |
B |
-x+1,y,-z+1 |
5_656 |
15 |
7 |
7899 |
94.1 |
-0.2 |
0.326 |
1 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[CIT]B:302 |
11 |
1 |
354 |
f |
[CIT]B:302 |
-x+1,y,-z+1 |
5_656 |
11 |
1 |
354 |
93.7 |
2.2 |
0.371 |
0 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[CIT]B:302 |
9 |
1 |
354 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
7899 |
91.8 |
2.1 |
0.615 |
2 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[CIT]A:302 |
9 |
1 |
356 |
◊ |
A |
-x+1,y,-z+1 |
5_656 |
14 |
6 |
7819 |
89.6 |
1.0 |
0.485 |
2 |
0 |
0 |
0.000 |
| 17 |
17 |
|
A |
10 |
4 |
7819 |
◊ |
B |
x,y-1,z |
1_545 |
12 |
4 |
7899 |
86.9 |
0.0 |
0.559 |
0 |
0 |
0 |
0.000 |
| 18 |
18 |
|
[CIT]B:301 |
9 |
1 |
332 |
◊ |
A |
-y+1,x+1,z-1/4 |
3_664 |
10 |
4 |
7819 |
84.3 |
3.0 |
0.647 |
5 |
0 |
0 |
0.000 |
| 19 |
19 |
|
[CIT]A:301 |
5 |
1 |
330 |
◊ |
B |
-y+1,-x+1,-z+3/4 |
8_665 |
3 |
1 |
7899 |
57.7 |
2.4 |
0.722 |
2 |
0 |
0 |
0.000 |
| 20 |
20 |
|
[CIT]B:302 |
5 |
1 |
354 |
cf |
[FE]B:300 |
-x+1,y,-z+1 |
5_656 |
1 |
1 |
137 |
39.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.071 |
21 |
|
[CIT]A:302 |
6 |
1 |
356 |
cf |
[FE]A:300 |
-x+1,y,-z+1 |
5_656 |
1 |
1 |
137 |
35.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.071 |
| Average: |
37.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.071 |
| 21 |
22 |
|
[CIT]A:301 |
6 |
1 |
330 |
◊ |
A |
-x,y,-z+1 |
5_556 |
3 |
2 |
7819 |
36.9 |
1.2 |
0.628 |
1 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[CIT]A:302 |
5 |
1 |
356 |
f |
[FE]A:300 |
x,y,z |
1_555 |
1 |
1 |
137 |
33.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.037 |
24 |
|
[CIT]B:302 |
6 |
1 |
354 |
f |
[FE]B:300 |
x,y,z |
1_555 |
1 |
1 |
137 |
28.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.037 |
| Average: |
31.1 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.037 |
| 23 |
25 |
|
[FE]B:300 |
1 |
1 |
137 |
◊ |
B |
-x+1,y,-z+1 |
5_656 |
4 |
2 |
7899 |
28.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
|
[FE]A:300 |
1 |
1 |
137 |
◊ |
A |
-x+1,y,-z+1 |
5_656 |
4 |
2 |
7819 |
17.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
23.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
[FE]A:300 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
7819 |
23.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
|
[FE]B:300 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
7899 |
17.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
20.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 25 |
29 |
|
[FE]A:300 |
1 |
1 |
137 |
f |
[FE]A:300 |
-x+1,y,-z+1 |
5_656 |
1 |
1 |
137 |
10.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.011 |
| 26 |
30 |
|
[FE]B:300 |
1 |
1 |
137 |
f |
[FE]B:300 |
-x+1,y,-z+1 |
5_656 |
1 |
1 |
137 |
8.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.012 |
|