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Figure 3 | BMC Structural Biology

Figure 3

From: Protein structure prediction by all-atom free-energy refinement

Figure 3

C α RMSD of predicted structures. The C α RMS deviation between the best cluster and the experimental conformation for the high and low-quality decoy sets (ordered by protein size) shows no decrease of the prediction probability with protein size for the high quality decoy sets. Green bars indicate correct predictions, red bars prediction failures. Shaded bars indicate indecisive simulations (see text), where there was no 'largest cluster' in the top 50 decoys. We note that there is only one genuine prediction failure for the high-quality decoy sets. The horizontal dashed line indicates the acceptance threshold for correct predictions. The purple bars designate the deviations of the best decoys when the same clustering technique is applied with the original ROSETTA scoring function.

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