Frequencies of intra-turn hydrogen bond formations.
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.b
mc – main chain atoms.c
sc – side chain atoms.