Figure 2.

Peptide-solvent interactions based on the predicted structures of the synthesized peptides. The QUARK online Ab initio protein structure algorithm was used to obtain the models. Visual Molecular Dynamics version 1.93 was used to simulate peptide interactions with a physiological solvent (NaCl 0.15 mol/L, 37 °C and 10 ns) using equilibration and molecular dynamics simulations. PyMOL molecular graphics system version 2.3.4 was used to generate the 3D images. The surface of interaction is represented as solid bodies surrounding the peptide structure. Amino acids contributing to the peptide-solvent interaction are represented as one letter codes and their number in the sequence. (a) 19ZP1; (b) 19ZP2; (c) 19ZP3.