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. Author manuscript; available in PMC: 2013 Jul 13.
Published in final edited form as: J Mol Biol. 2012 Apr 18;420(3):220–234. doi: 10.1016/j.jmb.2012.04.013

Fig. 4. Simulations of the β hairpins.

Fig. 4

a. ItFix predictions overlaid on the native hairpins. Ramachandran distributions during the simulations displayed for both ItFix and all-atom MD simulations. The native (green arrow) and predicted (red arrow) torsional angles are depicted. (b) The RMSDs of the six turn residues in the MD simulations to the native and to the ItFix predicted turns.