Fig. 2: Design characterization.
From: Role of backbone strain in de novo design of complex α/β protein structures
a Energy landscapes from Rosetta ab initio structure prediction simulations. Blue points represent the lowest energy structures obtained in independent Monte Carlo structure prediction trajectories starting from an extended chain for each sequence; the y-axis is the Rosetta all atom energy, the x-axis, the root mean square deviation (RMSD) to the design model. Red points represent the lowest energy structures obtained in trajectories starting from the design model. b Far-ultraviolet circular dichroism (CD) spectra at temperatures up to 170 °C and c Thermal denaturation curves at 222 nm with the transition midpoint temperature, \({T}_{m}\). d Two-dimensional 1H-15N HSQC spectra at 25 °C and 600 MHz.
