Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQNKRVVITGMGALSPIGNDVKTTWENALKGVNGIDKITRIDTEPYSVHLAGELKNFNIEDHIDKKEARRMDRFTQYAIVAAREAVKDAQLDINDNTADRIGVWIGSGIGGMETFEIAHKQLMDKGPRRVSPFFVPMLIPDMATGQVSIDLGAKGPNGATVTACATGTNSIGEAFKIVQRGDADAMITGGTEAPITHMAIAGFSASRALS-TNDDIETACRPFQEGRDGFVMGEGAGILVIESLESAQARGANIYAEIVGYGTTGDAYHITAPAPEGEGGSRAMQAAMDDAGIEPKDVQYLNAHGTSTPVGDLNEVKAIKNTFGEAAKHLKVSSTKSMTGHLLGATGGIEAIFSALSIKDSKVAPTIHAVTPDPECDLDIVPNEAQDLDITYAMSNSLGFGGHNAVLVFKKFEA |
1E5M Chain:A ((6-416)) | ---KKRVVVTGLGAITPIGNTLQDYWQGLMEGRNGIGPITRFDASDQACRFGGEVKDFDATQFLDRKEAKRMDRFCHFAVCASQQAINDAKLVINELNADEIGVLIGTGIGGLKVLEDQQTILLDKGPSRCSPFMIPMMIANMASGLTAINLGAKGPNNCTVTACAAGSNAIGDAFRLVQNGYAKAMICGGTEAAITPLSYAGFASARALSFRNDDPLHASRPFDKDRDGFVMGEGSGILILEELESALARGAKIYGEMVGYAMTCDAYHITAPVPDGRGATRAIAWALKDSGLKPEMVSYINAHGTSTPANDVTETRAIKQALGNHAYNIAVSSTKSMTGHLLGGSGGIEAVATVMAIAEDKVPPTINLENPDPECDLDYVPGQSRALIVDVALSNSFGFGGHNVTLAFKKYQ- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1E5M.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -172161 for 4207 contacts (-40.9/contact) +
2D Compatibility (PS) -43407 + (NN) -14956 + (LL) 444
1D Compatibility (HY) -37200 + (ID) 11400
Total energy: -278680.0 ( -66.24 by residue)
QMean score : 0.535
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