Table VI.

RAPDF/HB scores of native structure and conformations sampled by REMD.

Models	Enative	Emin	Elrms
a. Small, globular protein data set
1cy5_1	−4054	−3124	−3055
1cy5_2	−4054	−3268	−2989
1fm0	−2848	−2307	−2130
1gxu	−3297	−2542	−2314
1k5n	−3084	−2319	−1982
1mfg_1	−2633	−2330	−1901
1mfg_2	−2633	−2294	−2002
1opd	−2850	−2216	−1970
1r6j_1	−2539	−2052	−1938
1r6j_2	−2539	−1902	−1666
1urr	−3156	−2529	−2074
1wm3_1	−2588	−2066	−1568
1wm3_2	−2588	−1963	−1746
1xmt	−3357	−2227	−1656
b. CASPR data set
1xe1	−2458	−1934	−1794
1vm0	−3642	−2874	−2514
1vla	−4843	−3930	−3639
1whz	−2894	−2333	−2056
1tvg	−3703	−2923	−2253
1xg8	−3122	−2084	−1670
1o13	−3740	−2771	−2264

The items listed include the model name, RAPDF/HB score of the native structure for this model, the lowest RAPDF/HB score of REMD-generated structure and RAPDF/HB score of the lowest SSE-RMSD structure sampled in the REMD simulation.