Figure 4
Refinement with the new dictionaries and unimodal torsion restraints leads to fewer unlikely carbohydrate conformations. (a) Sugars that are part of N/O-glycosylation; (b) other sugars. θ versus φ plot for D-sugars (blue circles) and L-sugars (yellow triangles); see Section 4 for a description of θ and the Cremer–Pople parameters. D-Sugars usually adopt the 4C1 conformation with θ ≃ 0°; L-sugars normally adopt the 1C4 conformation with θ ≃ 180°. Use of the new unimodal torsion restraints (top) shows fewer deviations from these values. The PDB codes corresponding to entries discussed in Figs. 5 and 6 are labelled. The number of sugars in high-energy conformations (according to Privateer) is shown in the bottom right corner of each plot. Resolution ranges contain equal numbers of sugars (1668 each). High resolution is 0.9–1.8 Å, medium resolution is 1.8–1.9 Å and low resolution is 1.9–2 Å. |