In Silico Design and 3D Structural Data for a Multi-Epitope Vaccine Construct targeting Tilapia Parvovirus (TiPV)

Interface analysis of the docked .pdb complex reveals a massive 2074.4 Ų contact area stabilized by 9 intermolecular hydrogen bonds. Furthermore, kinetic data from Normal Mode Analysis (NMA) yields an eigenvalue of 4.498936 x 10^-7, indicating exceptional dynamic stability of the receptor-vaccine complex under simulated physiological motion. Finally, the dataset includes a 174 bp DNA sequence demonstrating perfect in silico codon optimization (CAI = 1.0, GC = 50.57%) for Escherichia coli K12 expression.

How the Data Can Be Interpreted and Used This computational dataset serves as a mathematically validated structural blueprint. Researchers can directly download the provided .pdb coordinate files to conduct independent, long-duration Molecular Dynamics (MD) simulations or execute comparative molecular docking against other teleost pattern recognition receptors (PRRs). Additionally, the provided consensus sequences and codon-optimized E. coli DNA files can be directly utilized by wet-lab researchers and molecular biologists to physically synthesize the gene, transitioning this design into in vitro recombinant mass production and subsequent in vivo biological challenge trials in Oreochromis species.