Homology Modeling and Molecular Dynamics (MD) Simulation Study of COI Gene in Gray’s stone loach Balitora Brucei Gray, 1830

Present study describes the homology modeling and molecular dynamics simulation study of COI gene of a hill stream loach,Balitora brucei. The barcoded sequences of the selected fish species (KY800366; KY867680) were processed by Modeler and 38 related homologs were obtained. Based on the lowest E-Value, 3AQ2A was selected as the best template for the analysis. Among the five models that obtained from the analysis, AQP2.B7777906 was found to be the best model with the smallest DOPE value. ERRAT score of the generated model was found to be 86.818%. The ProQ result shows the LG score of the model as 3.708 which signifies that the model lies in good-quality protein model range.