Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDYDFKVKLSSERERVEDLFEYEGCKVGRGTYGHVYKAKRKDGKDDKDYALKQI----EGTGISMSACREIALLRELKHPNVISLQKVFLSHADRKVWLLFDYAEHDLWHIIKFHRASKANKKPVQ-LPRGMVKSLLYQILDGIHYLHANWVLHRDLKPANILVMGEGPERGRVKIADMGFARLFNSPLKPLADLDPVVVTFWYRAPELLLGARHYTKAIDIWAIGCIFAELLTSEPIFHCRQEDIKTSNPYHHDQLDRIFNVMGFPADKDWEDIKKMPEHSTLMKDFRRNTYTNCSLIKYMEKHKVKPDSKAFHLLQKLLTMDPIKRITSEQAMQDPYFLEDPLPTSDVFAGCQIPYPKREFLTEEEPDDKGDKKNQQQQQGNNHTNGTGHPGNQDSSHTQGPPLKKVRVVPPTTTSGGLIMTSDYQRSNPHAAYPNPGPSTSQPQSSMGYSATSQQPPQYSHQTHRY |
4Y72 Chain:A ((14-292)) | -------------------------KIGEGTYGVVYKGRHK--TTGQVVAMKKIRLESEEEGVPSTAIREISLLKELRHPNIVSLQDVLMQ--DSRLYLIFEFLSMDL-------KKYLDSIPPGQYMDSSLVKSYLYQILQGIVFCHSRRVLHRDLKPQNLLI----DDKGTIKLADFGLARAFGIPIRVYTH---EVVTLWYRSPEVLLGSARYSTPVDIWSIGTIFAELATKKPLFHGDSE---------IDQLFRIFRALGTPNNEVWPEVESLQDYKNTFPKWKPGS---------LASHVKNLDENGLDLLSKMLIYDPAKRISGKMALNHPYFND------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4Y72.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -147338 for 2122 contacts (-69.4/contact) +
2D Compatibility (PS) -28969 + (NN) -9184 + (LL) 5308
1D Compatibility (HY) -30000 + (ID) 5900
Total energy: -216083.0 ( -101.83 by residue)
QMean score : 0.536
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