Fig. 4
Folding and molecular dynamics simulations of KfrAR751, KfrARA3 and a control coiled-coil domain. a Structural parameters of the first 100 best-scored models KfrAR751 (residues 77–327) and KfrARA3 (residues 76–326). Each row corresponds to a single model. The best-scored models are located on the top. The local degree of bundle supercoiling is indicated with a color gradient that spans from blue (left-handed) through white (no supercoiling) to red (right-handed). b Molecular dynamics trajectory colored as in (a). c Models extracted from the end of the MD simulations (in Panel b). The non-canonical regions are shown in red