Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRPLVATVDLSAIRHNYALAKRCAPQR-QAFAVVKANAYGHGAREVVT-ALHDDADGFAVACLEEAAEVRALHASARILLLEGCFEASEYALAGQLRLDLVIQGAEQGEAFLAAGLDIPLNVW---------LKLDSGMHRLGF-DPAALRAWHARLRSHPGVRELNLISHFACADERNHPLTEQQLESFLGLL----DLDFDQRSL--ANSAAVLTIPAAHMDWLRPGIMLYGSTPLADLSAA-ELGLKPAMSLGAQLISLREVAVGESVGYGATWIAERPARIGTVSCGYADGYPRTAPAGTPVLVGGRRAILAGRVSMDMLAVDLSDLPEARVGDPVELWG----AGLSVDEVARACGTLGYELLSKVTARVPRRYSH |
3HA1 Chain:A ((14-373)) | -------VDLDAIYNNVTHIKEFIPSDVEIFAVVKGNAYGHDYVPVAKIALEAGATRLAVAFLDEALVLRRAGITAPILVL-GPSPPRDINVAAENDVALTV--------FQKEWVDEAIKLWDGSSTMKYHINFDSGMGRIGIRERKELKGFLKSLEGAPFLELEGVYTHFATADEVETSYFDKQYNTFLEQLSWLKEFGVDPKFVHTANSAATLRFQGITFNAVRIGIAMYGLSPSVEIRPFLPFKLEPALSLHTKVAHIKQVIKGDGISYNVTYRTKTEEWIATVAIGYADGWLRRL-QGFEVLVNGKRVPIVGRVTMDQFMIHLP--CEVPLGTKVTLIGRQGDEYISATEVAEYSGTINYEIITTISFRVPRIF-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3HA1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -237099 for 2704 contacts (-87.7/contact) +
2D Compatibility (PS) -35382 + (NN) -9330 + (LL) 1204
1D Compatibility (HY) -28800 + (ID) 5900
Total energy: -315307.0 ( -116.61 by residue)
QMean score : 0.410
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