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. Author manuscript; available in PMC: 2013 Mar 1.
Published in final edited form as: Gastroenterology. 2011 Dec 7;142(3):654–663. doi: 10.1053/j.gastro.2011.11.035

Figure 2. Rotamer analysis of Q41H and K136R.

Figure 2

Detail of PDB structure 2OC8 showing boceprevir (magenta) and the superposed TLL (yellow). The panels on the left show the side-chain conformation of the consensus residue, while those on the right show the predicted BSV conformation. (A) (left) The Q41 side-chain OH-group with predicted H-bond interaction (dotted line) with ketoamide backbone Cα, (right) this H-bond interaction is absent in H41. (B) Predicted R136 side-chain conformation and the TLL P1’ cyclopropyl showing closer van der Waals contacts in (right) R136 than in (left) the consensus K136.