Fig. 7: Correlations between helicity and spin relaxation times of peptides.
a Three most abundant secondary structures detected by DSSP60 analysis and spin relaxation times from a simulation of yFis1(TA) in a micelle with 50 SDS molecules. b Scatter plot and Pearson correlation coefficients between helicity and spin relaxation times from individual residues in all simulations listed in Supplementary Tables 1, 2. The local environment helicity on the x-axis is the average over the given residue and the left and the right neighbouring residue if these exist. The colour of a point then encodes for the helicity of the given residue without neighbour averaging. c Pearson correlation coefficients and their p-values between the residual local environment helicity and spin relaxation times calculated separately for individual simulations. d Average helicities over three replicas with representative snapshots from MD simulations.
