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

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