Table_4.xls (5.5 kB)

Frequencies of intra-turn hydrogen bond formations.

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posted on 18.11.2011, 00:23 by Elio A. Cino, Jirasak Wong-ekkabut, Mikko Karttunen, Wing-Yiu Choy

Each frame from the last 0.1 µs of the mouse full-length ProTα and 32-mer Neh2 trajectories were used for the hydrogen bond calculations (25,000 structures). A hydrogen bond between a hydrogen donor (D–H) and a hydrogen acceptor (A) was judged to be formed when the DA distance (r) was less than 3.2 Å and the angle between the DA vector and the D–H bond (AD-H angle) was less than 35°.For clarity, only hydrogen bonds occur in more than 0.1% of the structures are listed and intra-residue hydrogen bonds are excluded.


mc – main chain atoms.


sc – side chain atoms.