string: However, using KiNG [39] we manually determined that single-peptide rotation angles from 25u to +15u of the N3 peptide could help optimize the H-bonding angle of its backbone amide to the N-cap sidechain H-bonding angle and were viable in terms of sterics, Ramachandran dihedrals [23], and t angles; therefore we included such a rotation in increments of 1u.