Table 2.

Partition function calculation results. EPIC was performed with SAPE in all cases. As in Table 1, EPIC solved all cases, and cases for which A* without EPIC did not finish are denoted by ^†.

Protein name	PDB code	Mutable residue count	A* speedup due to EPICa	A* speedup due to partialb
Histidine triad protein	2cs7	14	>48.48†	1.52
Ponsin	2o9s	14	>1131†	0.96
Transcriptional regulator AhrC	2p5k	11	>256.0†	1.34
Scytovirin	2qsk	10	5698.04	1.01
Hemolysin	2r2z	12	>217.7†	1.24
Dihydrofolate reductase	2rh2	14	>50.45†	2.16
Putative monooxygenase	2ril	8	1121.34	1.01
alpha-crystallin	2wj5	15	>29.06†	0.80
Cytochrome c555	2zxy	14	>8.87†	3.32
High-potential iron-sulfur protein	3a38	13	>1916†	1.40
ClpS protease adaptor	3dnj	12	>50.25†	0.93
Putative monooxygenase	3fgv	10	>9639†	1.57
Protein G	3fil	14	>1475†	1.31
Viral capsid	3g21	15	>7.84†	1.21
dpy-30-like protein	3g36	4	211.87	0.91
Hfq protein	3hfo	10	>194.8†	1.45
Cold shock protein	3i2z	14	>872.8†	1.24
Trypsin	3pwc	10	>624.2†	1.04
Trypsin	3pwc	11	>131.8†	2.07

^†A* without EPIC did not finish within the time limit, so we report a lower bound on the speedup: the ratio of the time limit (17 days) to the A* time with EPIC.

^aRatio of total A* time without EPIC vs. total A* time with EPIC and minimization of partial conformations.

^bRatio of total A* time with EPIC but no minimization of partial conformations vs. total A* time with EPIC and minimization of partial conformations.