Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNFELLATDGKARRGRLTFPRGVVETPAFMPVGTYGTVKGMLPRDIEDIGAQIILGNTFHLWLRPGTEVIQRHGDLHDFMQWKGPILTDSGGFQVFSLGAMRKIKEEGVTFASPVDGAKVFMGPEESMAVQRALGSDIVMIFDECTPYPADHDVAKRSMELSLRWAKRSKIAHGDSP-----SALFGIVQGGMHEDLRLRSLDGLQEIGFDGLAIGGLSVGEPKEEMIRVLDFLPPQMPADKPRYLMGVGKPEDLVEGVRRGVDMFDCVMPTRNARNGHLFVDSGVIKIRNSVHKHDDSTLDPTCDCYTCKHFSRAYLHHLDKCGEMLGSMLNTIHNLRHYQRVMAGLREAIQQGTLAAFVDAFYAKRGLPTPPLDA |
4PUJ Chain:A ((14-380)) | FSFSIAAREGKARTGTIEMKRGVIRTPAFMPVGTAATVKALKPETVRATGADIILGNTYHLMLRPGAERIAKLGGLHSFMGWDRPILTDSGGYQVMSL--LTKQSEEGVTFK-----SRHMLSPERSIEIQHLLGSDIVMAFDECTPYPATPSRAASSMERSMRWAKRSRDAFDSRKEQAENAALFGIQQGSVFENLRQQSADALAEIGFDGYAVGGLAVGEGQDEMFRVLDFSVPMLPDDKPHYLMGVGKPDDIVGAVERGIDMFDCVLPTRSGRNGQAFTWDGPINIRNARFSEDLKPLDSECHCAVCQKWSRAYIHHLIRAGEILGAMLMTEHNIAFYQQLMQKIRDSISEGRFSQFAQDFRAR---------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4PUJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -188864 for 3214 contacts (-58.8/contact) +
2D Compatibility (PS) -38635 + (NN) -19417 + (LL) -272
1D Compatibility (HY) -31600 + (ID) 9800
Total energy: -288588.0 ( -89.79 by residue)
QMean score : 0.578
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