Figure 2
The molecular packing and unit cell of FI, viewed along the a axis. Water molecules with low occupancy have been omitted. Peptide molecule B is shown in a darker tone. Hydrogen bonds (Table 2) are shown as black dashed lines. C—H⋯C contacts with H⋯C distances of less than 3.2 Å and C—H⋯C angles greater than 120° are indicated by grey dashed lines. The line drawing shows the Ile side chain in a forced perfectly staggered orientation. Two of the very short C—H⋯C contacts (2.39 and 2.48 Å) are shown as black dotted lines. For a description of 1 (H20B), 2 and 3, see Comment text. |