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Table 1 Short description of the terms and their combinations used in this work.

From: QMEANclust: estimation of protein model quality by combining a composite scoring function with structural density information

scoring function Description
torsion Extended torsion potential over 3 consecutive residues. Bin sizes: 45 degree for the centre residue, 90 degree for the 2 adjacent residues
pair residue Residue-level, secondary structure specific interaction potential using Cβ atoms as interaction centres. Range 3...25 Å, step size: 1 Å
solvation Potential reflecting the propensity of a certain amino acid for a certain degree of solvent exposure based on the number of Cβ atoms within a sphere of 9 Å around the centre Cβ.
pair all-atom All-atom, secondary structure specific interaction potential using all 167 atom types. Range 3...20 Å, step size: 0.5 Å
SSE agreement Agreement between the predicted secondary structure of the target sequence (using PSIPRED) and the calculated secondary structure of the model (using DSSP).
ACC agreement Agreement between the predicted relative solvent accessibility using ACCpro (buried/exposed) and the relative solvent accessibility derived from DSSP (> 25% accessibility => exposed)
QMEAN3 linear combination of torsion, pair residue, salvation
QMEAN4 linear combination of torsion, pair residue, solvation, pair all-atom
QMEAN5 linear combination torsion, pair residue, solvation, SSE, ACC
QMEAN6 linear combination of torsion, pair residue, solvation, pair all-atom, SSE, ACC