Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDYDFKAKLAAERERVEDLFEYEGCKVGRGTYGHVYKARRKDGKDEKEYALKQIEGTGISMSACREIALLRELKHPNVIALQKVFLSHSDRKVWLLFDYAEHDLWHIIKFHRASKANKKPMQLPRSMVKSLLYQILDGIHYLHANWVLHRDLKPANILVMGEGPERGRVKIADMGFARLFNSPLKPLADLDPVVVTFWYRAPELLLGARHYTKAIDIWAIGCIFAELLTSEPIFHCRQEDIKTSNPFHHDQLDRIFSVMGFPADKDWEDIRKMPEYPTLQKDFRRTTYANSSLIKYMEKHKVKPDSKVFLLLQKLLTMDPTKRITSEQALQDPYFQEDPLPTLDVFAGCQIPYPKREFLNEDDPEEKGDKNQQQQQNQHQQPTAPPQQAAAPPQAPPPQQNSTQTNGTAGGAGAGVGGTGAGLQHSQDSSLNQVPPNKKPRLGPSGANSGGPVMPSDYQHSSSRLNYQSSVQGSSQSQSTLGYSSSSQQSSQYHPSHQAHRY |
3ZDU Chain:A ((3-292)) | -----------------EMYETLG-KVGEGSYGTVMKCKHKN--TGQIVAIKIFY----NKIAMREIKFLKQFHHENLVNLIEVFRQ--KKKIHLVFEFIDHTVLDELQHYC--------HGLESKRLRKYLFQILRAIDYLHSNNIIHRDIKPENILVSQS----GITKLCDFGFART-----DIY---DDEVATRWYRAPELVLKDTSYGKPVDIWALGCMIIEMATGNPYLPSSSD---------LDLLHKIVLKVGNLSPHLQNIFSKSPIFAGVVLP--Q-VQHPKNARKKY----PKLNGLLADIVHACLQIDPADRISSSDLLHHEYFTRDGF------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ZDU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -159225 for 2221 contacts (-71.7/contact) +
2D Compatibility (PS) -29590 + (NN) -14701 + (LL) 5560
1D Compatibility (HY) -22000 + (ID) 4650
Total energy: -224606.0 ( -101.13 by residue)
QMean score : 0.463
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