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. 2011 May;55(5):2483–2486. doi: 10.1128/AAC.01651-10

Table 1.

Summary of structures tested and quality scores for the models deriveda

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
a

Values 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.