Table 5 The performance of PEPstrMOD on peptides in CyclicPep and ModPep datasets having length in different range. All models were subjected to 100 ps molecular dynamics simulations in vacuum environment
From: PEPstrMOD: structure prediction of peptides containing natural, non-natural and modified residues
CyclicPep dataset | |||||
Length range | Peptidesa | CA-RMSD | Percentb | B-RMSD | Percentb |
 10–15 | 12 | 2.99 | 100 | 2.60 | 100 |
 16–22 | 12 | 4.10 | 66.7 | 4.06 | 66.7 |
 23–30 | 10 | 5.31 | 40 | 4.95 | 50 |
 All (10–30) | 34 | 4.06 | 70.6 | 3.81 | 73.5 |
ModPep dataset | |||||
Length range | Peptidesa | CA-RMSD | Percentb | B-RMSD | Percentb |
 7–10 | 279 | 3.16 | 88.9 | 2.91 | 91.4 |
 11–15 | 134 | 4.96 | 58.2 | 4.75 | 61.9 |
 16–25 | 88 | 5.88 | 51.1 | 5.44 | 55.7 |
 All (7–25) | 501 | 4.12 | 74.1 | 3.85 | 77.2 |