Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKLWLKIGLSFFILFFVVMVIVGIFSGELMKSTYLNMKENQLEDDAKILLQTTNMENLDLDKDAATIQKSLDPLGEDIDARITVIDSKGDVVADTKKDPEKLDNHMNRPEVTDILKKGESVGISIRESDSLGYSMLYVAVPVKHQSKTDGVLRISISLESVDAAVAKLWGNLALIFGIALVIIAAISVFIARKITRPVREIIEVSTDLANHKYDSRIHGKISGELQDLSISVNTLAESLETQMFEIKQNEQRLNAIVQNLVSGVMLINVDKQVIMTNRTMYQILGETEITGKPFYEVIKSFALSQLIEATFETKTIQQKEIILYFPREMILDASVSPILGENGEITGIILLLHDITQIRHLENVRSEFVTNVSHELKTPVTALKGFAETLLDGAMY-DEMLLKKFLTIIKEESDRLHRLIMDILALSRIEQNPVPENVELVEVDEVIEQSARTIFEMATEKNIQVIIPEKTIPSVTIETDRDKLQQILINLLSNAINYTPVDG---KVEVKLIEQEAEVIIEVTDNGIGIPAKDIDRVFERFYRVDKARSRHSGGTGLGLSIVKHLVENCGGRIEVESQEEVGSTFRVTLPKKA |
2C2A Chain:A ((18-248)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RMKTEFIANISHELRTPLTAIKAYAETIYNSLGELDLSTLKEFLEVIIDQSNHLENLLNELLDFSRLERKSLQINREKVDLCDLVESAVNAIKEFASSHNVNVLFESNVPCPVEAYIDPTRIRQVLLNLLNNGVKYSKKDAPDKYVKVILDEKDGGVLIIVEDNGIGIPDHAKDRIFEQFYRVD---------TGLGLAITKEIVELHGGRIWVESEVGKGSRFFVWIPKD- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2C2A.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -102220 for 1542 contacts (-66.3/contact) +
2D Compatibility (PS) -23615 + (NN) -8389 + (LL) 30252
1D Compatibility (HY) -20000 + (ID) 4600
Total energy: -128572.0 ( -83.38 by residue)
QMean score : 0.493
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