Table 7.

QMD analysis of 3.^a

	F1	F2	F3	F4	F5	F6	F7	F8
population	18	17	13	8	4	11	2	7
ΔE (kcal/mol) from lowest energy conformer overall	0.00	0.01	0.03	0.07	0.08	0.09	0.13	0.15
min. Cβ - Cβ in family	13.36	12.00	12.79	12.38	11.43	11.04	11.33	9.51
max. Cβ - Cβ in family	13.77	12.60	13.65	12.92	11.84	11.73	11.39	10.17
corresponds tob			α-helix	β-sheetc			β-sheetd

^aA total of 15 families were identified, but F9 - 15 were omitted for clarity. F9 and F12-15 have only one structure, and F10 and F11 have 4 and 5 structures respectively. All the conformers in F9 – 15 were more than 0.17 kcal/mol less stable than the global minimum.

^bRepresentative structures in the families highlighted overlay with the these secondary structures as represented in the figures accompanying this table.

^cAnti-parallel form.

^dParallel form.