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. Author manuscript; available in PMC: 2016 Jan 31.
Published in final edited form as: J Mol Recognit. 2015 Jan 20;28(2):59–73. doi: 10.1002/jmr.2412

Figure 4.

Figure 4

Cartoon representation of T. brucei CYP51 showing the ligand tunnels of the membrane-bound CYP51 analyzed in CAVER3.0 (Chovancova et al., 2012). The important secondary structure elements are labeled. The B–C loop is shown in purple and the F–G loop in red. The bilayer is shown in violet. Tunnels that opened at least in one snapshot during the 60-ns simulation of the membrane-bound ligand-free CYP51 are shown by sphere representations and labeled by circles with white letters. Tunnel 2f (blue) leads to the membrane, and tunnels 2b (orange), S (cyan), and W (yellow) lead to the solvent. Tunnels 2a, 2c, 2e, and 2ac that were not open in the 60-ns simulation are labeled by white italic letters in gray circles.