Figure 3
The hydrogen-bonded sheet formed by amino–carboxylate interactions between peptide A molecules (B is equivalent, see Supplementary materials). Side-chain atoms have been omitted. The two vertical head-to-tail C(8) chains have been highlighted (blue in the electronic version of the paper), as has a horizontal C(5) chain involving the amide >N—H group (red). The combination of a translation-only (T) relationship between individual molecules (i.e. no screw operations are involved) and a C(5) chain generates a T5 pattern (Görbitz, 2010a). Additional Cα—H⋯O=C< interactions are shown as light dashed lines (orange). The parameters x and y define the dimensions of the pattern, which for (I) corresponds to the lengths of the a and c axes, respectively; the angle φ is 95.04 (4)° in the triclinic P1 structure of Pro–Tyr (SOJPAI; Klein et al., 1991), but 90.00° in all other T5 structures. |