| ## |
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 |
273 |
70 |
20217 |
◊ |
A |
x,y,z |
1_555 |
268 |
69 |
20567 |
2684.4 |
-40.0 |
0.007 |
40 |
9 |
0 |
0.499 |
| 2 |
2 |
|
[HEM]B:750 |
42 |
1 |
836 |
f |
B |
x,y,z |
1_555 |
82 |
24 |
20217 |
543.3 |
-19.1 |
0.332 |
2 |
0 |
0 |
0.338 |
3 |
|
[HEM]A:750 |
42 |
1 |
831 |
f |
A |
x,y,z |
1_555 |
79 |
24 |
20567 |
541.4 |
-19.1 |
0.322 |
2 |
0 |
0 |
0.338 |
| Average: |
542.4 |
-19.1 |
0.327 |
2 |
0 |
0 |
0.338 |
| 3 |
4 |
|
A |
47 |
13 |
20567 |
x |
A |
x-1,y,z |
1_455 |
43 |
13 |
20567 |
384.9 |
-0.1 |
0.710 |
1 |
0 |
0 |
0.000 |
| 4 |
5 |
|
[2SN]B:800 |
23 |
1 |
533 |
f |
B |
x,y,z |
1_555 |
37 |
16 |
20217 |
299.0 |
-2.1 |
0.598 |
3 |
0 |
0 |
0.057 |
6 |
|
[2SN]A:800 |
23 |
1 |
531 |
f |
A |
x,y,z |
1_555 |
38 |
17 |
20567 |
297.3 |
-2.0 |
0.596 |
3 |
0 |
0 |
0.057 |
| Average: |
298.2 |
-2.1 |
0.597 |
3 |
0 |
0 |
0.057 |
| 5 |
7 |
|
[H4B]B:760 |
17 |
1 |
398 |
f |
B |
x,y,z |
1_555 |
29 |
8 |
20217 |
203.6 |
2.1 |
0.492 |
2 |
0 |
0 |
0.000 |
8 |
|
[H4B]A:760 |
17 |
1 |
396 |
f |
A |
x,y,z |
1_555 |
27 |
8 |
20567 |
201.5 |
2.2 |
0.484 |
2 |
0 |
0 |
0.000 |
| Average: |
202.6 |
2.2 |
0.488 |
2 |
0 |
0 |
0.000 |
| 6 |
9 |
|
[2SN]A:800 |
16 |
1 |
531 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
33 |
1 |
831 |
157.5 |
-4.5 |
0.865 |
1 |
0 |
0 |
0.082 |
10 |
|
[2SN]B:800 |
16 |
1 |
533 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
34 |
1 |
836 |
156.2 |
-4.4 |
0.874 |
1 |
0 |
0 |
0.082 |
| Average: |
156.9 |
-4.4 |
0.869 |
1 |
0 |
0 |
0.082 |
| 7 |
11 |
|
[H4B]B:760 |
14 |
1 |
398 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
20567 |
120.8 |
-0.1 |
0.258 |
1 |
0 |
0 |
0.009 |
12 |
|
[H4B]A:760 |
14 |
1 |
396 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20217 |
118.6 |
-0.1 |
0.255 |
1 |
0 |
0 |
0.009 |
| Average: |
119.7 |
-0.1 |
0.257 |
1 |
0 |
0 |
0.009 |
| 8 |
13 |
|
[H4B]A:760 |
5 |
1 |
396 |
f |
[HEM]A:750 |
x,y,z |
1_555 |
5 |
1 |
831 |
44.0 |
-1.2 |
0.446 |
2 |
0 |
0 |
0.036 |
14 |
|
[H4B]B:760 |
4 |
1 |
398 |
f |
[HEM]B:750 |
x,y,z |
1_555 |
5 |
1 |
836 |
44.0 |
-1.3 |
0.457 |
2 |
0 |
0 |
0.036 |
| Average: |
44.0 |
-1.2 |
0.452 |
2 |
0 |
0 |
0.036 |
| 9 |
15 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20567 |
34.4 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.255 |
16 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20217 |
34.1 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.255 |
| Average: |
34.2 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.255 |
| 10 |
17 |
|
B |
4 |
1 |
20217 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
20567 |
29.3 |
0.2 |
0.628 |
0 |
0 |
0 |
0.000 |
|