Figure 2 - full size

 

Figure 2.
Fig. 2. Residual electron density in the peptide bond plane. (A) For the peptide Ala-9-Arg-10 when using a spherical neutral atom model, contour level 0.05 e^ /Å3. (B) Averaged over the 34 nondisordered peptides in crambin when using a spherical neutral atom model. (C) When using a multipolar charged atom model transferred from the database and (D) with average valence populations and multipoles refined, contour level 0.02 e^ /Å3. Positive: red lines; negative: blue lines.