The Study On Statistical Dihedral Angles Potentials In Protein Structure Prediction

Energy function is of greatest importance in protein structure prediction. It is used as guidance for protein structure selection, conformation searching and quality optimizing. Physics-based energy function and knowledge-based energy function are included, depending on whether exported by the known experimental structural information. Dihedral angles potential in this article is one of knowledge-based energy functions. In recent years, a variety of dihedral angle statistical potential in protein structure prediction has been widely applied, which plays an irreplaceable role in. After discussion of the vary forms of these dihedral angles potential, effective potential is found. The primary work and research findings are as follows:First, for taking into account the different residues Ramachandran probability distribution with neighboring residues, effect of considering left-neighbor or right-neighbor residues on dihedral angles potential is studied, compared with single-residue dihedral angle statistical potential. As a result, considering the neighbor residues is neccessary, yet considering right-neighbor residues in Dihedral angles potential behaves better than considering left-neighbor ones a bit. when the adjacent residues are introduced at the same time, statistical potential has optimal performance.Second, whether neighbor dihedral angles should be considered in dihedral angles potential or not, whether considering left-neighbor or right-neighbor residues in Dihedral angles potential differs from each other or not, are discussed in this artical. As a result, Considering neighbor dihedral angles is helpful for potential, Potential has optimal performance when the adjacent dihedral angle introduced at the same time, and It’s no differece of considering left-neighbor or right-neighbor residues in dihedral angles potential.Third, a new dihedral angles potential is designed after above discussion. This potential consider no only neighbor residues, but also neighbor dihedral angles. It behaves better than other dihedral angles potentials on many decoy sets. It also indicates that the proper introduction of the adjacent residues, the positive impact of information on the dihedral angle statistical potential.