Table 4.

Population statistics for host–guest turn simulations

Guest residue	Sidechain-backbone H-bond at i + 2, %*	Sidechain-backbone H-bond at i + 3, %*	Percent in turn†
Asp	27.8	9.7	31.8
Asn	27.3	16.7	29.4
Ser	31.8	20.3	30.0
Leu	N/A	N/A	33.7
Glu	<1	1.7	20.1
Thr	26.2	10.4	20.1
Ala	N/A	N/A	26.7

N/A, not applicable. 

^*Percent of the ensemble in which the indicated hydrogen bond is formed. 

^† Percent of the ensemble in which Gly is found at the i + 2 position of a β-turn. Note that turn populations in the supplementary material exceed those listed here because they represent the fraction of the ensemble in which a residue is in either the i + 1 or the i + 2 position of a turn.