Nearest-Neighbor Interactions and Their Influence on the Structural Aspects of Dipeptides

Table 6

H-bond distances^a (in angstrom) for the intramolecular H-bond interactions detected in the dipeptide structures in both the phases.

Dipeptides	Phases	N5⋯H10–N6	O11⋯H–C7	O12⋯H–C7	O13⋯H–C7
Sec-Val	Aqueous	2.152	2.422	abs	2.658
	Gas	2.228	2.349	abs	2.712
Sec-Leu	Aqueous	2.175	2.595	abs	2.555
	Gas	2.208	2.413	abs	2.682
Sec-Asp	Aqueous	2.156	2.401	2.723	abs
	Gas	2.176	2.323	2.670	abs
Sec-Ser	Aqueous	2.147	2.443	abs	2.537
	Gas	2.224	2.402	abs	2.553
Sec-Gln	Aqueous	2.188	2.708	abs	2.532
	Gas	2.207	2.504	abs	2.599
Sec-His	Aqueous	2.157	2.438	abs	2.530
	Gas	2.221	2.412	abs	2.548
Sec-Pyl	Aqueous	2.162	2.523	abs	2.589
	Gas	2.215	2.366	abs	2.637

aOnly the (B⋯H) distances are listed where B is H-bond acceptor; abs: absent.