Shape and unfolding descriptors for the three ultra-representative proteins.

<p>Root-mean-squared-deviation (RMSD) from the starting conformation, radius of gyration (RadGyr), TMscore, solvent accessible surface area (SASA), native secondary structure index (S2) and native contacts index (S3) were calculated in water, urea and hot water in the four force-fields (OPLSAA - ON2; CHARMM - C22; AMBER99 - P99 and last-modified P99SBILDN). Average values and relative standard deviations are calculated in the last 10 ns of the simulation. For radius of gyration and SASA, the value found for the starting conformation is reported as a red line. See <a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.1003393#s4" target="_blank">Methods</a> and Suppl. <a href="http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.1003393#pcbi.1003393.s013" target="_blank">Text S1</a> for a description of the metrics. Error bars mark the standard deviation.