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. Author manuscript; available in PMC: 2017 Oct 4.
Published in final edited form as: Structure. 2016 Sep 15;24(10):1842–1853. doi: 10.1016/j.str.2016.07.021

Figure 3.

Figure 3

An example of binding mode sampling. A. The three modeled peptide conformers based on the sequence of the peptide from the protein-peptide complex 2BBA. B. The sampled peptide binding modes on the whole surface of protein from complex 2BBA. The high-quality and medium-quality binding modes (Lrms < 5.5Å) are shown in ribbon and colored cyan. The low-quality binding modes are represented by the 7th Cα atom of the peptide and colored blue. C. The comparison between the best sampled binding mode (with Lrms = 2.97Å) and the native binding mode. The native binding mode is colored cyan and the sampled binding mode is colored red. Three representative failed cases are shown in Figure S2.