Table 1 The average accuracy of MODPEP2.0 measured by C\(\alpha\) (cRMSD), backbone (bRMSD), and all heavy atoms (aRMSD) for the peptides with different length ranges when an ensemble of 100 conformations were considered for each peptide
From: Efficient 3D conformer generation of cyclic peptides formed by a disulfide bond
Cyclic Peptide | RMSD (Å) | |||
|---|---|---|---|---|
Length | Number | cRMSD (Å) | bRMSD (Å) | aRMSD (Å) |
(0, 10] | 35 | 0.70 | 0.73 | 1.77 |
(10, 15] | 83 | 1.28 | 1.24 | 2.59 |
(15, 20] | 37 | 2.34 | 2.22 | 3.65 |
(20, 25] | 32 | 2.64 | 2.52 | 4.00 |
(25, 30] | 6 | 3.22 | 3.05 | 4.52 |
ALL | 193 | 1.66 | 1.60 | 2.94 |