Table 1.

Summary of structures tested and quality scores for the models derived^a

Model	Template	Molpdf score	DOPE score	%ID	QMEAN (all)	QMEAN (no signal)
CYP51A	JUS	754.11322	−56,059.07031	41.34	0.662	0.801
CYP51A	EAE	4,125.88184	−54,123.19922	29.97	0.584	0.584
G54R	JUS	2,959.02418	−50,929.875	41.124	0.625	0.731
G448S	JUS	1,281.91821	−50,139.01563	41.124	0.702	0.837
M220I	JUS	1,733.19971	−50,897.00781	41.124	0.633	0.798
M220V	JUS	9,602.02637	−49,395.46094	41.348	0.559	0.659
M220W	JUS	1,467.80127	−50,351.31641	41.124	0.609	0.715
M220K	JUS	1,374.15918	−50,486.30059	41.348	0.657	0.746
M220R	JUS	831.92627	−49,997.29688	41.124	0.64	0.781
L98H	JUS	784.87683	−49,235.55839	41.348	0.676	0.827

^aValues are for the Af293 structures. Note that molecular probability density function (PDF) energy (Molpdf) and DOPE scores serve as internal quality metrics and are not externally comparable. QMEAN scores were calculated for full-length models (all) and models lacking the predicted 24-amino-acid secretion/ER retention signal (no signal). %ID, percent identity.