Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQSLFSLAFGVGTQNRQEAWLEVFYALPLLKPSSEIVAAVAPILGYAAGNQALTFTSQQAYQLADALKGIDAAQSALLSRLAESQKPLVATLLAEDAAPSSTAEAYLKLHLLSHRLVKPHAVNLSGIFPLLPNVAWTNIGAVDLAELAELQLEARLKGKLLEVFSVDKFPKMTDYVVPAGVRIADTARVRLGAYIGEGTTVMHEGFVNFNAGTEGPGMIEGRVSAGVFVGKGSDLGGGCSTMGTLSGGGNIVISVGEGCLIGANAGIGIPLGDRNIVEAGLYITAGTKVALLDEQNALVKVVKARDLAGQPDLLFRRNSQNGAVECKTNKTAIELNEALHAHN |
3R5D Chain:A ((6-332)) | --QSLFSLAFGVGTQNRQEAWLEVFYALPLLKPSSEIVAAVAPILGYAAGNQALTFTSQQAYQLADALKGIDAAQSALLSRLAESQKPLVATLLAEDAAPSSTAEAYLKLHLLSHRLVKPHAVNLSGIFPLLPNVAWTNIGAVDLAELAELQLEARLKGKLLEVFSVDKFPKMTDYVVPAGVRIADTARVRLGAYIGEGTTVMHEGFVNFNAGTEGPGMIEGRVSAGVFVGKGSDLGGGCSTMGNIV------ISVGEGCLIGANAGIGIPLGDRNIVEAGLYITAGTKVALLDENA-LVKVVKARDLAGQPDLLFRRNSQNGAVECKT--------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3R5D.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -232212 for 2691 contacts (-86.3/contact) +
2D Compatibility (PS) -35020 + (NN) -19594 + (LL) 1284
1D Compatibility (HY) -44400 + (ID) 15750
Total energy: -345692.0 ( -128.46 by residue)
QMean score : 0.505
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