Fig. 3: Comparison of representative motif models from Rosetta-SWM, refinement of Rosetta-SWM models and base-pair-restrained prediction by BRiQ.

Energy versus RMSD values of the conformations sampled by (i) Rosetta-SWM, (ii) refinement of Rosetta-SWM conformations by BRiQ, (iii) structure prediction by BRiQ with all native base pairs fixed for A CG-helix, B GCAA-tetra loop, C UUCG-tetra loop, D j55a-P4P6-fixed, and E loopE-fixed. Structure alignment of native (blue) to the best in top 1% predicted models by Rosetta-SWM (panel iv) and BRiQ refinement (panel v) in the bottom panel.