| ## |
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 |
275 |
70 |
20295 |
◊ |
A |
x,y,z |
1_555 |
270 |
71 |
20561 |
2697.8 |
-40.4 |
0.005 |
37 |
9 |
0 |
0.463 |
| 2 |
2 |
|
[HEM]A:801 |
43 |
1 |
822 |
f |
A |
x,y,z |
1_555 |
77 |
24 |
20561 |
539.3 |
-18.7 |
0.300 |
1 |
0 |
0 |
0.307 |
3 |
|
[HEM]B:801 |
42 |
1 |
826 |
f |
B |
x,y,z |
1_555 |
78 |
23 |
20295 |
535.2 |
-18.8 |
0.294 |
1 |
0 |
0 |
0.307 |
| Average: |
537.3 |
-18.8 |
0.297 |
1 |
0 |
0 |
0.307 |
| 3 |
4 |
|
A |
47 |
11 |
20561 |
x |
A |
x-1,y,z |
1_455 |
40 |
12 |
20561 |
360.3 |
-0.5 |
0.683 |
1 |
0 |
0 |
0.000 |
| 4 |
5 |
|
[JHT]A:803 |
22 |
1 |
551 |
f |
A |
x,y,z |
1_555 |
44 |
20 |
20561 |
318.3 |
-5.4 |
0.618 |
3 |
0 |
0 |
0.106 |
6 |
|
[JHT]B:803 |
22 |
1 |
554 |
f |
B |
x,y,z |
1_555 |
43 |
20 |
20295 |
318.3 |
-5.2 |
0.632 |
3 |
0 |
0 |
0.106 |
| Average: |
318.3 |
-5.3 |
0.625 |
3 |
0 |
0 |
0.106 |
| 5 |
7 |
|
[H4B]A:802 |
17 |
1 |
396 |
f |
A |
x,y,z |
1_555 |
27 |
8 |
20561 |
202.4 |
2.0 |
0.483 |
2 |
0 |
0 |
0.000 |
8 |
|
[H4B]B:802 |
17 |
1 |
395 |
f |
B |
x,y,z |
1_555 |
30 |
9 |
20295 |
201.8 |
2.1 |
0.475 |
2 |
0 |
0 |
0.000 |
| Average: |
202.1 |
2.0 |
0.479 |
2 |
0 |
0 |
0.000 |
| 6 |
9 |
|
[JHT]B:803 |
16 |
1 |
554 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
33 |
1 |
826 |
156.6 |
-5.9 |
0.982 |
1 |
0 |
0 |
0.100 |
10 |
|
[JHT]A:803 |
16 |
1 |
551 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
31 |
1 |
822 |
153.9 |
-5.7 |
0.983 |
1 |
0 |
0 |
0.100 |
| Average: |
155.2 |
-5.8 |
0.983 |
1 |
0 |
0 |
0.100 |
| 7 |
11 |
|
[H4B]B:802 |
14 |
1 |
395 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
20561 |
118.2 |
-0.1 |
0.263 |
1 |
0 |
0 |
0.008 |
12 |
|
[H4B]A:802 |
14 |
1 |
396 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20295 |
118.1 |
-0.1 |
0.267 |
1 |
0 |
0 |
0.008 |
| Average: |
118.2 |
-0.1 |
0.265 |
1 |
0 |
0 |
0.008 |
| 8 |
13 |
|
B |
5 |
1 |
20295 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
1 |
20561 |
43.4 |
0.3 |
0.612 |
1 |
0 |
0 |
0.000 |
| 9 |
14 |
|
[H4B]A:802 |
5 |
1 |
396 |
f |
[HEM]A:801 |
x,y,z |
1_555 |
5 |
1 |
822 |
42.3 |
-1.2 |
0.443 |
2 |
0 |
0 |
0.033 |
15 |
|
[H4B]B:802 |
4 |
1 |
395 |
f |
[HEM]B:801 |
x,y,z |
1_555 |
5 |
1 |
826 |
42.3 |
-1.1 |
0.468 |
2 |
0 |
0 |
0.033 |
| Average: |
42.3 |
-1.2 |
0.455 |
2 |
0 |
0 |
0.033 |
| 10 |
16 |
|
[ZN]A:804 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20295 |
34.4 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.244 |
17 |
|
[ZN]A:804 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20561 |
34.4 |
-20.1 |
0.000 |
0 |
0 |
0 |
0.244 |
| Average: |
34.4 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.244 |
| 11 |
18 |
|
[JHT]B:803 |
1 |
1 |
554 |
f |
[H4B]B:802 |
x,y,z |
1_555 |
2 |
1 |
395 |
4.5 |
-0.1 |
0.374 |
0 |
0 |
0 |
0.001 |
19 |
|
[JHT]A:803 |
1 |
1 |
551 |
f |
[H4B]A:802 |
x,y,z |
1_555 |
1 |
1 |
396 |
0.6 |
-0.0 |
0.462 |
0 |
0 |
0 |
0.001 |
| Average: |
2.5 |
-0.1 |
0.418 |
0 |
0 |
0 |
0.001 |
|