Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDYDFKAKLAAERERVEDLFEYEGCKVGRGTYGHVYKARRKDGKDEKEYALKQIEG----TGISMSACREIALLRELKHPNVIALQKVFLSH--SDRKVWLLFDYAEHDLWHIIKFHRASKANKKPMQLPRSMVKSLLYQILDGIHYLHANWVLHRDLKPANILVMGEGPERGRVKIADMGFARLFNSPLKPLADLDPVVVTFWYRAPELLLGARHYTKAIDIWAIGCIFAELLTSEPIFHCRQEDIKTSNPFHHDQLDRIFSVMGFPADKDWEDIRKMPEYPTLQKDFRRTTYANSSLIKYMEKHKVKPDSKVFLLLQKLLTMDPTKRITSEQALQDPYFQEDPLPTLDVFAGCQIPYPKREFLNEDDPEEKGDKNQQQQQNQHQQPTAPPQQAAAPPQAPPPQQNSTQTNGTAGGAGAGVGGTGAGLQHSQDSSLNQVPPNKKPRLGPSGANSGGPVMPSDYQHSSSRLNYQSSVQGSSQSQSTLGYSSSSQQSSQYHPSHQAHRY |
4NST Chain:A ((19-313)) | ------------------------GIIGEGTYGQVYKAKDKD--TGELVALKKVRLDNEKEGFPITAIREIKILRQLIHRSVVNMKEIVTDKQD--GAFYLVFEYMDHDLMGLLESG--------LVHFSEDHIKSFMKQLMEGLEYCHKKNFLHRDIKCSNILLNN----SGQIKLADFGLARLYNSEES--RPYTNKVITLWYRPPELLLGEERYTPAIDVWSCGCILGELFTKKPIFQANL---------ELAQLELISRLCGSPCPAVWPDVIKLPYFNTMKP---KKQYRRR-LR---EEFS-FIPSAALDLLDHMLTLDPSKRCTAEQTLQSDFLKDVELSKMAPPDLPHWQDCHELWSKK--------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4NST.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -189856 for 2266 contacts (-83.8/contact) +
2D Compatibility (PS) -29803 + (NN) -12862 + (LL) 5368
1D Compatibility (HY) -31600 + (ID) 5400
Total energy: -264153.0 ( -116.57 by residue)
QMean score : 0.568
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