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. 2018 Sep 12;8:13668. doi: 10.1038/s41598-018-32028-7

Table 2.

Detailed folding energetics of HP5A and GB1p β-hairpins (all in kcal/mol).

vdW ASP Elec GB Ener Elec + GB Total
HP5A −3.5 ± 0.1 −0.10 ± 0.1 12.2 ± 1.6 −9.7 ± 2.1 2.5 ± 0.4 −2.4 ± 0.4
GB1p −0.50 ± 0.06 −0.40 ± 0.1 −14.9 ± 1.7 7.9 ± 2.1 −7.0 ± 0.4 −9.9 ± 0.8

Standard errors were estimated based on the differences calculated using first and second half of the production ensembles (last 60 ns of REX-MD).