Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPAVTYEHIKTCKQSGARLGIVHTPHGSFETPMFMPVGTKATVKTMSPEELRQIEAKIILGNTYHLWLQPGNDIIKHAGGLHKFMNWDGPILTDSGGFQVFSLSNLRKITEEGVEFRHHTNGSKLFLSPEKSMQIQNDLGSDIMMAFDECPPMPAEYDYVKKSIERTTRWAKRCLDA----HQRPEDQALFGIIQGGEYEDLREQSAKDLVELDFPGYAIGGLSVGEPKPVMYKMVEHTEQFMPKDKPRYLMGVGSPDALIECSIRGMDMFDCVLPTRIARNGTCMTSQGRLVIKNAKFADDLRPLDENCDCYTCQNYSRAYIRHLIKAEETFGIRLTTIHNLHFLLKLMEDIRQAIREDRLLDFKEEFFEQYGLNVENPKNF |
4GKT Chain:A ((19-381)) | ----------AAREGKARTGTIEMKRGVIRTPAFMPVG--ATVKALKPETVRATGADIILGNTYHLMLRPGAERIAKLGGLHSFMGWDRPILTDSGGYQ-------TKQSEEGVTF---------MLSPERSIEIQHLLGSDIVMAFDECTPYPATPSRAASSMERSMRWAKRSRDAFDSRKEQAENAALFGIQQGSVFENLRQQSADALAEIGFDGYAVGGLAVGEGQDEMFRVLDFSVPMLPDDKPHYLMGVGKPDDIVGAVERGIDMFDCVLPTRSGRNGQAFTWDGPINIRNARFSEDLKPLDSECHCAVCQKWSRAYIHHLIRAGEILGAMLMTEHNIAFYQQLMQKIRDSISEGRFSQFAQDFRARY---------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4GKT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -192853 for 3054 contacts (-63.1/contact) +
2D Compatibility (PS) -36720 + (NN) -16742 + (LL) 1936
1D Compatibility (HY) -27600 + (ID) 9050
Total energy: -281029.0 ( -92.02 by residue)
QMean score : 0.506
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