Figure 6.

The four conformational states of alanine decapeptide (ala10) used for parameter fitting and testing of the new model. The secondary structure (blue trace) and the molecular surface (gray) are shown. The polyproline (pp2) conformation represents an unfolded state of the peptide, while the three other conformations correspond to three distinct Ramachandran regions of the folded space: alpha helix, left-handed alpha helix, and beta-hairpin. Each state is represented by a number of structurally similar, but not identical snapshots (one set of snapshots is shown). The snapshots are courtesy of Daniel Roe, see Sec. 5 and Ref. 50 for details of how they were generated.