Predicting Peptide Structures in Native Proteins from Physical Simulations of Fragments
Figure 9
RMSD-to-native of cluster conformations plotted versus cluster conformation scores for all cluster conformations extracted from 16-mer fragment simulations of 1whz.
Each dot represents a cluster conformation, color-coded according to its region along the protein sequence: residues 1–20 (cyan), residues 12–39 (magenta), residues 28–53 (yellow), and residues 42–70 (cyan). On the left (residues 1–20 and 28–53) are examples of high conformational cluster scores predicting native structures, while on the right (residues 12–39 and 42–70) are examples of high-scoring decoy structures.