A Folding Pathway Model of Mini-Protein BBA5

Figure 3

Snapshots of the lowest-potential-energy-barrier pathway out of 10 BBA5 ADMD simulations are shown. The initial (final) conformation shown at (2000) is prepared by applying local energy minimization to the fully extended (NMR native) structure of BBA5. The color variation of the structure from blue to red corresponds to its amino acid sequence variation from N- to C-terminus. Numbers in parentheses represent the values of radius of gyration in Å.