Table 2 The average accuracies of our MODPEP method measured using the Cα (cRMSD), backbone (bRMSD), and all heavy atoms (aRMSD) for the peptides with different lengths when an ensemble of 200 conformations were considered for each peptide
From: Efficient conformational ensemble generation of protein-bound peptides
Peptide | RMSD (Ă…) | |||
|---|---|---|---|---|
Length | Number | cRMSD | bRMSD | aRMSD |
3 | 11 | 0.04 | 0.42 | 1.18 |
4 | 43 | 0.21 | 0.62 | 1.29 |
5 | 32 | 0.45 | 0.87 | 1.69 |
6 | 47 | 0.65 | 1.01 | 1.97 |
7 | 49 | 0.96 | 1.20 | 2.25 |
8 | 60 | 1.29 | 1.50 | 2.59 |
9 | 138 | 1.56 | 1.65 | 2.85 |
10 | 60 | 1.67 | 1.74 | 2.93 |
11 | 62 | 2.04 | 2.04 | 3.31 |
12 | 40 | 2.09 | 2.09 | 3.41 |
13 | 50 | 2.29 | 2.34 | 3.69 |
14 | 45 | 2.64 | 2.65 | 3.96 |
15 | 33 | 2.58 | 2.56 | 3.99 |
16 | 29 | 2.66 | 2.61 | 4.00 |
17 | 12 | 2.56 | 2.61 | 4.14 |
18 | 25 | 2.93 | 2.90 | 4.20 |
19 | 21 | 2.38 | 2.37 | 3.55 |
20 | 16 | 3.14 | 2.94 | 4.44 |
21 | 21 | 3.05 | 2.84 | 4.08 |
22 | 21 | 2.43 | 2.43 | 3.71 |
23 | 10 | 3.01 | 3.06 | 4.37 |
24 | 17 | 3.11 | 2.96 | 4.33 |
25 | 15 | 2.71 | 2.65 | 3.69 |
26 | 10 | 2.77 | 3.05 | 4.46 |
27 | 10 | 3.95 | 4.18 | 5.49 |
28 | 14 | 3.05 | 3.16 | 4.43 |
29 | 14 | 4.24 | 4.07 | 5.33 |
30 | 5 | 2.72 | 2.75 | 3.95 |
All | 910 | 1.90 | 1.99 | 3.18 |