Figure 3
The search fragment used to find structures of acyclic peptides with parallel β-sheets in the CSD (Allen, 2002). The dashed C—N bonds have bond types `any', the central N—C bonds have been defined as acyclic, the number of H atoms on the central Cα atom can be 1 or 2 (V = variable), and the atom type for QA atoms is either C or O. The two hydrogen bonds HB1 and HB2 were defined as intermolecular contacts with H⋯O distances in the range 1.7–2.8 Å after normalization of the N—H bond lengths to 0.88 Å. The molecules connected by N—H⋯O hydrogen bonds may additionally be connected by C—H⋯O hydrogen bonds, but these were not specified in the search. |