Figure 4
Hydrogen bonds in (a) the crystal structure of (I) and (b) the crystal structure of L-Leu-L-Val 2-propanol solvate (Görbitz & Torgersen, 1999; CSD refcode JUCSEF01). Peptide Cβ atoms and solvent C atoms carrying hydroxyl groups are shown as small spheres, other side-chain and solvent atoms have been omitted for clarity. The archetype S5 pattern in (b) is characterized by the presence of one syn and one anti head-to-tail C(8) chain with alternating molecules being related by Screw symmetry (light grey shades), as well as a C(5) chain involving an amide >N—H donor and a carboxylate acceptor. An S4 pattern has the same symmetry, but a C(4) chain to O=C< carbonyl acceptor, while consecutive molecules in T5 and T4 sheets are related by Translation rather than by a screw operation (Görbitz, 2010). See text for details on the red and blue shades. |