The computational prediction of the protein 3D structures involves
mathematical modeling techniques based on statistical terms that are why the resultant
structures may have some structural issues related to β-sheets, α-helices, non-structural
loops, amino acid chain angles, and backbone psi, phi bond angles that pose potential
energy constraints in the structure. The validation of the computationally predicted
structure is mandatory, which compares different parameters of the protein 3D
structure with that of experimentally available protein structures. Here, in this chapter,
we will discuss the evaluation procedure of the 3D structures for their accuracy and
physio-chemistry by numerous available tools.
Keywords: Anolea, Errat, Molprobity, PDBsum, Rampage, Structure evaluation.
