Improvements in predictions.

Comparison between fractions of correctly predicted models (TM-score ≥0.5 or 0.4 when noted) among best, best top-5 and best top-5≥0.4 TM-scores. Best top-5 results are analyzed as 2 groups: derived on the basis of calculated final energy (energy) and on the basis of cluster size (clustering). Results without the use of residue-residue contacts, only with the use of residue-residue contacts, or with: all predicted contacts included for the whole duration of simulation (all), contacts sequentially included as the simulation proceeds (sequential) and combined results taking advantage of both approaches are compared. Best results are predictions with highest TM-score from the whole generated ensemble, best top-5: the highest TM-score value from 5 lowest energy models (or 5 largest clusters) in an ensemble.