Skip to main content
. Author manuscript; available in PMC: 2008 Dec 11.
Published in final edited form as: J Chem Theory Comput. 2006;2(3):667–673. doi: 10.1021/ct050294k

Figure 6.

Figure 6

Relative stability and energy terms of the conformations explored during the simulations. Black: total potential energy, red = non bonded energy, green: bond angle energy, blue: dihedral energy. All energies are expressed in units of ∈. The extended conformation is taken as the zero-level. Parameters of the dihedral and bond angle terms: A = 2∈, B = 4∈, C = 0:5∈, D = 0, δUαθ=7,δUαθ=9. Representative structures extracted from the simulations are reported: red=α-helix, pink=“broken-helix”, violet=random coil, cyan=β-hairpin and three-fold β-sheet.