The computational prediction of the protein 3D structures involves the
mathematical modeling techniques based on statistical terms. That is 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 that 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 physiochemistry
by numerous available tools.
Keywords: Anolea, ERRAT, Molprobity, PDBsum, Rampage, Structure
evaluation.
