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. 2017 Mar 16;7:212. doi: 10.1038/s41598-017-00188-7

Figure 6.

Figure 6

NMR-derived three-dimensional structures of KYE21 (pdb acquisition code: 2NCU) and WWWKYE21 (PDB acquisition code: 2NCW) in LPS micelles. (a) Ribbon representation of the ensemble of 20 lowest energy structures of KYE21 (upper panel) and WWWKYE21 (lower panel), showing a superimposition of the backbone (Cα, N and C′) atoms. (b) Ribbon and line representation of the 20 lowest energy ensemble structures of KYE21 (upper panel) and WWWKYE21 (lower panel), showing the superimposition of the backbone and the side chain atoms. (c) Cartoon representation of the orientations of the single structures of KYE21 (upper panel) and WWWKYE21 (lower panel) bound to LPS micelles, with aromatic (white color) and hydrophobic residues participating in the hydrophobic hub of the molecule indicated. The side chains of the arginine, lysine, and histidine residues participating in the polar face are shown in stick representation. All figures have been prepared using PyMOL.