Figure 8.
Ambiguous density around acidic side chains and their amide counterparts. (a) Residue Gln14 as modeled in PDB entry 2nvh, with a water molecule modeled in nearby 2mF o − DF c density. (b) Our model (grey) shown in mF o − DF c difference density calculated from the PDB entry with the water molecule removed. The difference density, contoured at 1.1σ, extends from the carbonyl group back to the Cγ atom of the added conformer. (c) Residue Glu13 as modeled in PDB entry 3d02, with two conformers at 0.5/0.5 occupancy in 2mF o − DF c density contoured at 0.75σ. (d) Our model (grey) in mF o − DF c difference density contoured at −1.5σ.