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. Author manuscript; available in PMC: 2015 Aug 1.
Published in final edited form as: Biophys Chem. 2014 Jun 24;192:41–48. doi: 10.1016/j.bpc.2014.06.004

Fig. 4.

Fig. 4

CHARMM27 simulations of the sidechain conformation for Trp 59 and Glu 60 in wild type (A and B) and the V101I variant (C and D) of FKBP12. Illustrated at 400 ps intervals, the orientation of the Trp 59 indole Nε1 – HNε1 bond vector is plotted relative to that of the initial frame (A and C). The χ1 sidechain torsion angle of Glu 60 is plotted at the same intervals (B and D) using a 0° to 360° scale to circumvent the discontinuity at 180°/−180°.