FIGURE 2
MD simulation and structure comparison. (A). MD simulation of PcActx peptide monomer and dimmer. (B). Spatial structure of Cys 19 of PcActx peptide. Cys residues are shown as spheres in orange. Trp10, Tyr 12 and Phe 34 residues are shown as spheres in green. Other molecules are shown as cartoons in green. (C,D). Homology model structure of PcActx (C) and APHC1 (D) peptide. Molecules are shown as cartoons and colored based on the secondary structure: α-helix in purple, β-sheet in blue, β-turn in yellow, coil in gray, and disulfide bond in cyan. (E). Structure overlap of PcActx and APHC1. The structure of PcActx peptide is shown in green, and the structure of APHC1 peptide is shown in gray.