Mechanical Strength of Beta-Solenoid Proteins Under Bending and Twisting Simulations

POSTER

Abstract

We present a study of the mechanical properties of seven beta-solenoid antifreeze proteins, using molecular dynamics simulations. The goal is three-fold: (i) to collect and organize data on a range of beta-solenoid proteins, (ii) to investigate the validity and reproducibility of common techniques of measuring the mechanical strength of proteins computationally, and (iii) to find evidence for relationships between attributes of these proteins and their mechanical strength. The proteins studied vary in length, number of turns, amino acids per turn, handedness, cross-sectional area, and number of sides. The mechanical properties of the proteins are measured by conducting and analyzing bending and twisting simulations, in multiple directions, for each protein. The results are validated in part by repeating the procedure, for each direction, for each protein. Values for the bending and twisting moduli are calculated and tabulated.

Authors

  • Amanda Parker

    UC Davis

  • Ethan Anderes

    UC Davis, Lawrence Berkeley National Lab - ALS, National Institute of Standards and Technology - NCNR, Univ of California - Davis, University of California, Davis, California State University, Long Beach, University of California, Irvine, University of California, Merced, UC Merced, U Central Florida, Paul Scherrer Institute, Paul Scherrer Institute in Switzerland, Hartnell Comm Coll, University of Michigan, University of Nevada, Reno, National Security Technologies LLC, Livermore, California, Humboldt State University, Stanford University, San Diego State Univ, Institute of Mathematical Problems of Biology, Eindhoven University of Technology, University Of Nevada Reno, Univ of Nevada - Reno, University of Chicago, Physics Department of the University of Nevada, Reno, NV, USA, Institute for Academic Initiatives, PPC and Graduate School of Engineering, Osaka University, Joint Institute for High Temperatures, PPC and Graduate School of Engineering, Osaka University, Institute for Academic Initiatives, Joint Institute for High Temperatures, National Institute of Standards and Technology, Gaithersburg, MD, Department of Physics, UC Davis, Department of Physics & Astronomy, Univeristy of California Irvine, 92697, Department of Chemistry and of Physics, Univeristy of California Irvine, 92697, Department of Condensed Matter Physics, Weizmann Institute of Science, Rehovot, Israel 76100, Einstein Centre for Local-Realistic Physics, Cal State Long Beach, University of nevada, Reno, Nicolaus Copernicus University, Torun, Poland, University of Maryland, CERN, Univ of California, Davis

  • Ethan Anderes

    UC Davis, Lawrence Berkeley National Lab - ALS, National Institute of Standards and Technology - NCNR, Univ of California - Davis, University of California, Davis, California State University, Long Beach, University of California, Irvine, University of California, Merced, UC Merced, U Central Florida, Paul Scherrer Institute, Paul Scherrer Institute in Switzerland, Hartnell Comm Coll, University of Michigan, University of Nevada, Reno, National Security Technologies LLC, Livermore, California, Humboldt State University, Stanford University, San Diego State Univ, Institute of Mathematical Problems of Biology, Eindhoven University of Technology, University Of Nevada Reno, Univ of Nevada - Reno, University of Chicago, Physics Department of the University of Nevada, Reno, NV, USA, Institute for Academic Initiatives, PPC and Graduate School of Engineering, Osaka University, Joint Institute for High Temperatures, PPC and Graduate School of Engineering, Osaka University, Institute for Academic Initiatives, Joint Institute for High Temperatures, National Institute of Standards and Technology, Gaithersburg, MD, Department of Physics, UC Davis, Department of Physics & Astronomy, Univeristy of California Irvine, 92697, Department of Chemistry and of Physics, Univeristy of California Irvine, 92697, Department of Condensed Matter Physics, Weizmann Institute of Science, Rehovot, Israel 76100, Einstein Centre for Local-Realistic Physics, Cal State Long Beach, University of nevada, Reno, Nicolaus Copernicus University, Torun, Poland, University of Maryland, CERN, Univ of California, Davis