Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKLWLKIGLSFFILFFVVMVIVGIFSGELMKSTYLNMKENQLEDDAKILLQTTNMENLDLDKDAATIQKSLDPLGEDIDARITVIDSKGDVVADTKKDPEKLDNHMNRPEVTDILKKGESVGISIRESDSLGYSMLYVAVPVKHQSKTDGVLRISISLESVDAAVAKLWGNLALIFGIALVIIAAISVFIARKITRPVREIIEVSTDLANHKYDSRIHGKISGELQDLSISVNTLAESLETQMFEIKQNEQRLNAIVQNLVSGVMLINVDKQVIMTNRTMYQILGETEITGKPFYEVIKSFALSQLIEATFETKTIQQKEIILYFPREMILDASVSPILGENGEITGIILLLHDITQIRHLENVRSEFVTNVSHELKTPVTALKGFAETLLDGAMYDEMLLKKFLTIIKEESDRLHRLIMDILALSRIEQNPVPENVELVEVDEVIEQSARTIFEMATEKNIQVIIPEKTIPSVTIETDRDKLQQILINLLSNAINYTPVDGKVEVKLIEQEAEVIIEVTDNGIGIPAKDIDRVFERFYRVDKARSRHSGGTGLGLSIVKHLVENCGGRIEVESQEEVGSTFRVTLPKKA |
3D36 Chain:A ((3-223)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HMVIR----------LAASISHEIRNPLTAARGFIQLIEEQPLAADKR-RQYARIAIEELDRAEAIITDYLTFAK----PAPETPEKLNVKLEIERVIDILRPLA---NMSCVDIQATLAPFSVIGEREKFRQCLLNVMKNAIEAMPNGGTLQVYVSIDNGRVLIRIADTGVGMTKEQLERLGEPYFTTKGVK-----GTGLGMMVVYRIIESMNGTIRIESEIHKGTTVSIYLP--- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3D36.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -99804 for 1582 contacts (-63.1/contact) +
2D Compatibility (PS) -22244 + (NN) -2369 + (LL) 30932
1D Compatibility (HY) -14400 + (ID) 3000
Total energy: -110885.0 ( -70.09 by residue)
QMean score : 0.440
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