Effect of a single water molecule on the conformational preferences of a capped Pro-Gly dipeptide in the gas phase.

Herein, we have investigated the effect of microhydration on the secondary structure of a capped dipeptide Boc-DPro-Gly-NHBn-OMe (Boc = tert-butyloxycarbonyl, Bn = Benzyl), i.e., Pro-Gly (PG) with a single H2O molecule using gas-phase laser spectroscopy combined with quantum chemistry calculations.