Protein structure based prediction of catalytic residues

BMC Bioinformatics

Table 2 A representative list of performances of neural networks with different combinations of features used as inputs

C, sequence conservation; D, distance to the GCM; A, residue type; K, closeness. A check symbol on a column indicates that the feature was included in training. The Matthew’s correlation coefficient, expressed as a percentage, was calculated on the validation set after convergence of the training procedure. Networks were trained either with “All residues” or only with residues that showed a conservation value of 3.5 or more. The calculation of the MCC was performed over the entire original set of residues, regardless of the effect of preselection on the overall counts.

ISSN: 1471-2105