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. 2011 Nov 18;6(11):e27371. doi: 10.1371/journal.pone.0027371

Table 2. Average distance-based RMSD values between the bound-state conformation and the MD structures.

System C α (Å) ± sdev Backbonea (Å) ± sdev All-atom (Å) ± sdev
16-mer ProTα peptide 1.17 ± 0.48 1.13 ± 0.40 2.47 ± 0.62
9-mer Neh2 peptide 1.02 ± 0.66 1.03 ± 0.59 1.73 ± 0.68
Full-length ProTαb 0.34 ± 0.12 0.44 ± 0.12 1.82 ± 0.25
32-mer Neh2 peptideb 0.18 ± 0.08 0.26 ± 0.07 0.85 ± 0.12
a

Backbone atoms include N, C α and C.

b

The last 0.1 µs of the trajectory was used in the RMSD calculations.