Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSLIRVNGEAFKLSLESLEEDPFETKETLETLETLIKQTSVVLLAAGESKRFSRAIKKQWLRSHHTPLWLSVYESFKEALDFKEVILVVSELDYVYIQRHYPKIKLVKGGASRQESVRNALKVIDSTYTITSDVARGLANMEALKSLFLTLQQTSHYCIAPYLPCYDTAIYYNEALDREAIKLIQTPQLSHTKTLQSALNQG-GFKDESSAILQAFPNSVSYIEGSKDLHKLTTSGDLKFFTPFFNPAKDTFIGMGFDTHAFIKDKPMVLGGVVLDCEFGLKAHSDGDALLHAVIDAILGAIKGGDIGEWFPDNDPKYKNASSKELLKIVLDFSQSIGFELLEMGATIFSEIPKITPYKPAILENLSQLLGLEKSQISLKATTMEKMGFIGKQEGLLVQAHVSMRYKQKL |
1W57 Chain:A ((3-365)) | -------------------------------------EMSLIMLAAGNSTRFNTKVKKQFLRLGNDPLWLYATKNLSSFYPFKKIVVTSSNI--TYMKKFTKNYEFIEGGDTRAESLKKALELIDSEFVMVSDVARVLVSKNLFDRLIENLDKAD--CITPALKVADTTLFDNEALQREKIKLIQTPQISKTKLLKKALDQNLEFTDDSTAI-AAMGGKIWFVEGEENARKLTFKEDLKKL-DLPTPSFEIFTGNGFDVHEFGENRPLLLAGVQIHPTMGLKAHSDGDVLAHSLTDAILGAAGLGDIGELYPDTDMKFKNANSMELLKQAYDKVREIGFELINIDICVMAQSPKLKDFKQAMQSNIAHTLDLDEFRINVKATTTEKLGFIGRKEGMAVLSSVNLKYFDWT |
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General information:
TITO was launched using:
| RESULT:
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Template: 1W57.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -228313 for 2995 contacts (-76.2/contact) +
2D Compatibility (PS) -39076 + (NN) -15117 + (LL) 3608
1D Compatibility (HY) -28800 + (ID) 7750
Total energy: -315448.0 ( -105.32 by residue)
QMean score : 0.459
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