Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPAVTYEHIKTCKQSGARLGIVHTPHGSFETPMFMPVGTKATVKTMSPEELRQIEAKIILGNTYHLWLQPGNDIIKHAGGLHKFMNWDGPILTDSGGFQVFSLSNLRKITEEGVEFRHHTNGSKLFLSPEKSMQIQNDLGSDIMMAFDECPPMPAEYDYVKKSIERTTRWAKRCLDA----HQRPEDQALFGIIQGGEYEDLREQSAKDLVELDFPGYAIGGLSVGEPKPVMYKMVEHTEQFMPKDKPRYLMGVGSPDALIECSIRGMDMFDCVLPTRIARNGTCMTSQGRLVIKNAKFADDLRPLDENCDCYTCQNYSRAYIRHLIKAEETFGIRLTTIHNLHFLLKLMEDIRQAIREDRLLDFKEEFFEQYGLNVENPKNF |
2OKO Chain:A ((18-380)) | ----------AAREGKARTGTIEMKRGVIRTPAFMPVGTAATVKALKPETVRATGADIILGNTYHLMLRPGAERIAKLGGLHSFMGWDRPILTDSGGYQVMSLSSLTKQSEEGVTFK--------MLSPERSIEIQHLLGSDIVMAFDECTPYPATPSRAASSMERSMRWAKRSRDAFDSRKEQAENAALFGIQQGSVFENLRQQSADALAEIGFDGYAVGGLAVGQGQDEMFRVLDFSVPMLPDDKPHYLMGVGKPDDIVGAVERGIDMFDCVLPTRSGRNGQAFTWDGPINIRNARFSEDLKPLDSECHCAVCQKWSRAYIHHLIRAGEILGAMLMTEHNIAFYQQLMQKIRDSISEGRFSQFAQDFRARY---------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2OKO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -188546 for 3146 contacts (-59.9/contact) +
2D Compatibility (PS) -37816 + (NN) -16384 + (LL) 1180
1D Compatibility (HY) -29200 + (ID) 9300
Total energy: -280066.0 ( -89.02 by residue)
QMean score : 0.526
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