Fold prediction for 1Y26: (A) best match for native structure, (B) lowest energy and (C) most probable graph in the MC simulated ensemble. (D) Energy of graphs sampled during a simulation with 0.12 billion MC passes. (E) Spectrum of the ensemble at μ = 0.0 kBT. (F– H) Three sample structures corresponding to the energies indicated by the orange lines in the spectrum. (I) The ensemble average energy (black dots) of the simulations, the square root of the energy variance from the mean (dashed line above and dashed line below the average) and the entire span of the spectrum indicated by the vertical lines, as a function of μ in units of kBT. The sequence and the cord graph of the native fold (http://rna.bgsu.edu/rna3dhub/pdb/1Y26/2d) are given on the lower right. Quality scores for the most probable fold are TPR = 0.92 and mFPR = 0.04.
