Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSNYIQNSGTRVIRDELQATGKVRENEDQPVENIKITNDHAFYKLICEKLVQGDFSVEQFNLLHYDISEKMIEKPFTIKEINDFCEKNDIPLFTVNELLTLVPKDDIKCYVDYETDSVRNHDHGYIADQINIKASYIKADLVNHQSYQDYITDSDTYYGFIYKKLIVSDALEKLERGETEAQIRESLGNINRKEIKELLEKVPQGSLKEWLSDPANKGYTDVEYHVLYEKISEELVHTSMSINRIKEIYDKYGIVPPTESEFESLKKVQGEKRSIEYHEQKTGLTFQGRINLNVTDNNADNEFSLNIDLFQNKNFEDLTDQNGDGVINNEGLLKSLEDTVKTFNEVFGIKKDNNPLLVYGNIANFRLFLFESKESYQKYLSGDHDAHIPGGGVAQFSDNNYISNMYSHAENARSDFNGDKEGNCKDYNYVIKHELVHALTFYLTSKLDLGKVLMEGLAEYVTHLTEGEKPADFAKLVGEEYKEHTLEEIIKGAVDPYQTGAAIIAYIEETYPNFIDNLLYAATEDRKTLNGRFYFKEMMQKIYQSEEDKIQKGEGFSNWVKTYSSAENITIEPGHAQHEQQAVGNEKDEAQSYSSKGQVSEDRTEVHPTGSFRGLEVPKKPVIHEQNKGQENIVLKDTILKIEKSYERDSEGKHKANVIIDYYDMKALYDRVAGAKKQSVLKFWNKLAESEYKVGALSEDKYYFKDGKFVIHDSNEKKLVVLPEDKVSIKIMKDGNHYDLAISNKEGKVISSITKIDNLNYELLLDISDFSLEAQDSTTFSDQHNEYDLYLENGLVKMFDCASDHIYHDHSLI |
2BII Chain:A ((224-311)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AKSDDRWW-KDERYAIYDLNLQTIICKPENQQVIKISED--EYEIAGFGYNGGGV-RIGRI------------EVSLDKGKSWKLADIDYPEDRYREAGYFRLFGGLVNVCDRMSCLC |
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General information:
TITO was launched using:
| RESULT:
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Template: 2BII.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 8862 for 355 contacts (25.0/contact) +
2D Compatibility (PS) -8524 + (NN) 5734 + (LL) 43780
1D Compatibility (HY) -4800 + (ID) 1400
Total energy: 43652.0 ( 122.96 by residue)
QMean score : 0.111
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