Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAGSHPYLNPPDSTHPSPPSAPPSLRWHQCCQPSDATNGLLVALLGGGLPAGFVGPLSHMAYQASNLPSLELLICRCLFHLPIALLLKLRGDPLLGPPDIRGRAYFYALLNVLSIGCAYSAVQVVPAGNAATVRKGSSTVCSAVLTLCLESQGLSGYDWCGLLGSILGLIIIVGPGLWTLQEGITGVYTALGYGQAFVGGLALSLGLLVYRSLHFPSCLPTVAFLSGLVGLLGSVPGLFVLQPPVLPSDLPSWSCVGAVGILALVSFTCVSYAVTKAHPALVCAVLHSEVVVALILQYYMLHETVAPSDIVGAGVVLGSIAIITAWNLSCEREGKVEE |
3ORG Chain:A ((112-132)) | ----------------------------------------LICAIGGGLPVGWEGPNVHIACIIAHQFYRLGVFKELCTDRALRLQTLAAACAVGLASSFGAPLGGVLYSIETIASFYLVQAFWKGVLSALSGAIVYELDVSRTQTLLYAILGALMGVLGALFIRCVRSIYELRMRHYPGTNRYFLVGVVALFASALQYPFPRATINDLFKAVTELILMPIIKFILVALSIGLPLPAGVFVPSFLIGAGFGRLYGELMRVVFGNAIVPGSYAVVGAAAFTAGVTRALSCAVIIFEVTGQIRHLVPVLISVLLAVIVGNAFNRSLYETLVLMKHLPYMP |
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General information:
TITO was launched using:
| RESULT:
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Template: 3ORG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -9394 for 84 contacts (-111.8/contact) +
2D Compatibility (PS) -2107 + (NN) -1072 + (LL) 20
1D Compatibility (HY) -1200 + (ID) 550
Total energy: -14303.0 ( -170.27 by residue)
QMean score : -0.152
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