Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDYDFKAKLAAERERVEDLFEYEGCKVGRGTYGHVYKARRKDGKDEKEYALKQIEGTGISMSACREIALLRELKHPNVIALQKVFLSHSDRKVWLLFDYAEHDLWHIIKFHRASKANKKPMQLPRSMVKSLLYQILDGIHYLHANWVLHRDLKPANILVMGEGPERGRVKIADMGFARLFNSPLKPLADLDPVVVTFWYRAPELLLGARHYTKAIDIWAIGCIFAELLTSEPIFHCRQEDIKTSNPFHHDQLDRIFSVMGFPADKDWEDIRKMPEYPTLQKDFRRTTYANSSLIKYMEKHKVKPDSKVFLLLQKLLTMDPTKRITSEQALQDPYFQEDPLPTLDVFAGCQIPYPKREFLNEDDPEEKGDKNQQQQQNQHQQPTAPPQQAAAPPQAPPPQQNSTQTNGTAGGAGAGVGGTGAGLQHSQDSSLNQVPPNKKPRLGPSGANSGGPVMPSDYQHSSSRLNYQSSVQGSSQSQSTLGYSSSSQQSSQYHPSHQAHRY |
1UA2 Chain:A ((16-311)) | ------------------------DFLGEGQFATVYKARDKN--TNQIVAIKKI-----NRTALREIKLLQELSHPNIIGLLDAFG--HKSNISLVFDFMETDLEVIIKDN--------SLVLTPSHIKAYMLMTLQGLEYLHQHWILHRDLKPNNLLLDE----NGVLKLADFGLAKSFGSPNRA---YTHQVVTRWYRAPELLFGARMYGVGVDMWAVGCILAELLLRVPFLPGDS---------DLDQLTRIFETLGTPTEEQWPDMCSLPDYVTF----K--SFPGIPLHHIFS----AAGDDLLDLIQGLFLFNPCARITATQALKMKYFSNRPGPTP----GCQLPRPN--------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1UA2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -172529 for 2331 contacts (-74.0/contact) +
2D Compatibility (PS) -29486 + (NN) -10087 + (LL) 6236
1D Compatibility (HY) -28000 + (ID) 6050
Total energy: -239916.0 ( -102.92 by residue)
QMean score : 0.478
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