PTMetaD-WTE. To obtain a general understanding of the configurational ensemble of DHH1N using PTMetaD-WTE, we first calculated one-dimensional free energy (1D-FE) profiles as a function of individual collective variables at 300 K for both To study more accurately the structural motifs emerging from the extensive sampling of DHH1N conformational ensemble, we also evaluate key secondarystructure content for CHARMM36m and CHARMM22* PTMetaD-WTE by means of the DSSP algorithm 106 . DHH1N is predominantly disordered, as demonstrated by the high number of loops/irregular elements, bends and turns for both CHARMM36m and CHARMM22*. When modelled with CHARMM36m, DHH1N displays three domains with a relatively high propensity to nucleate α-helices, located approximately along the sequences of Asn6-to-Asp16, Asp18-to-Asn26 and Thr36-to-Thr42 (Fig. ).