Node ID
(Figure2)
|
IRMSD
|
LRMSD
|
fnat
|
fnonnat
|
OPUS-PSP
[27]
|
---|
9 (59b.pdb)
|
4.41
|
15.43
|
0.22
|
0.78
|
-335.113
|
or
| | | | | |
30 (99c.pdb)
|
4.01
|
14.81
|
0.25
|
0.77
|
-385.907
|
20 (79a.pdb)
|
2.95
|
10.60
|
0.42
|
0.60
|
-441.811
|
22 (80c.pdb)
|
1.88
|
5.53
|
0.61
|
0.42
|
-405.242
|
21 (80a.pdb)
|
1.41
|
3.14
|
0.67
|
0.31
|
-406.366
|
- Interface RMSD (IRMSD), ligand RMSD (LRMSD), number of native contacts (fnat), number of non-native contacts (fnonnat) and OPUSPSP energy values are reported. The first four values were computed comparing with the native complex structure.