. Author manuscript; available in PMC: 2019 Apr 5.

Published in final edited form as: J Phys Chem B. 2018 Feb 13;122(13):3528–3539. doi: 10.1021/acs.jpcb.7b10734

Table 3.

Decomposition of Interpeptide CO-to-CO and CO-to-HN Interactions into Groups g_CO, g_OH, and g_COH in System gly^a

	CO–CO			CO···HN

	g_CO	g_OH	g_COH	g_CO	g_OH	g_COH
n	1.298	0	1.772	0	1.013	1.098
E	−1.422		−1.988		−1.507	−1.437
τ	99		153		29	195

For other systems, see Supporting Information. n, E, and τ represent, respectively, number, energy (in kcal/mol), and lifetime (in fs) of interactions.