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. 2017 Nov 22;9:59. doi: 10.1186/s13321-017-0246-7

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

Peptide RMSD (Å)
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