Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTNWKEKARASFQLNDKTYHYYKLKTLEEDKLTNIEKLPYSVRVLLESVLRQADGRVIKDSHVEDLAHWSKDGNEG-EVPFKPARVILQDFTGVPAVVDLASLRKAMADLGGDPEKINPEIPVDLVVDHSVQVDSYANPEALKINMELEFKRNMERYQFLNWAQKAFDNYRAVPPATGIVHQVNLEYLANVVIANEVADGEFVAFPDSLVGTDSHTTMINGIGVLGWGVGGIEAEAGMLGQPSYFPIPEVIGVKLLGALPNGATATDFALKVTQVLREQKVVGKFVEFYGPGVATLPLADRATVANMAPEYGATCGFFPVDKEALNYLKLTGRDKEQIELVEAYLEANDLF--FTPEKVEPNYTQTVEIDLSAIEPNLAGPKRPQDLIPLSKMKETFRESITAKAGNQGFGLDKSALDKEVTVTFGNGDQSTMKTGSVAIAAITSCTNTSNPYVMLSAGLVAKKAVEKGLEVPKFVKTSLAPGSKVVTGYLEKAGLLPYLEKLGFDLVGYGCTTCIGNSGPLKEEIEEAIQDSDLLVSAVLSGNRNFEGRIHALVKANFLASPPLVVAYALAGTTNVDMLTEPIGRGNNGEEVFLDDIWPSSEEVKALVEETVTPELFREQYAHVFDENEAWNAIETTEDALYKWDENSTYIANPPFFDNLAKEAGKVEALSGLRIIGKFGDSVTTDHISPAGAIGKDTPAGKFLQEQGVAIRDFNSYGSRRGHHDVMMRGTFANIRIKNQIAPGTEGGYTTYWPTGEVMSIYDASRKYIENNTGLVILAGDDYGMGSSRDWAAKGTNLLGIKTVIAKSYERIHRSNLVMMGVLPLQFQPGEDAETLGLTGSESLQVEIGEDVAPRDLVKVTATREDGSSITFDALARFDSEVEIDYYRHGGILPMVLRGKLK |
3SNP Chain:A ((34-889)) | ------------------------------------RLPFSIRVLLEAAVRNCDKFLVKKEDIENILNWNVTQHMNIEVPFKPARVILQDFTGVPSVVDFAAMRDAVKKLGGDPEKINPICPVDLVIDHS------------------EFERNRERFEFLKWGSKAFRNMRIIPPGSGIIHQVNLEYLARVVFDQ---DGYY--YPDSLVGTDSHTTMIDGLGVLGWGVGGIEAEAVMLGQPISMVLPQVIGYRLMGKPHPLVTSTDIVLTITKHLRQVGVVGKFVEFFGPGVAQLSIADRATIANMCPEYGATATFFPVDEVSIKYLVQTGRDESKVKQIRKYLQAVGMFRDYSDPSQDPDFTQVVELDLKTVVPCCSGPKRPQDKVAVSDMKKDFESCLGAKQGFKGFQVAPDHHNDHKTFIY-NDSEFTLSHGSVVIAAITSSTNTSNPSVMLGAGLLAKKAVDAGLNVKPYVKTSLSPGSGVVTYYLRESGVMPYLSQLGFDVV------------PLPEPVVEAITQGDLVAVGVLSGNRNFEGRVHPNTRANYLASPPLVIAYAIAGTIRIDFEKEPLGTNAKGQQVFLRDIWPTREEIQAVERQYVIPGMFTEVYQKIETVNASW--------KLYLWNPKSTYIKSPPFFENLTLDLQPPKSIVDAYVLLNLGDSVTTDHISPAGNIARNSPAARYLTNRGLTPREFNSYGSRRGNDAIMARGTFANIRLLNRFL-NKQAPQTIHLPSGETLDVFDAAERYQQEGHPLIVLAGKEYGSGSSRDWAAKGPFLLGIKAVLAESYERIHRSNLVGMGVIPLEYLPGENADSLGLTGRERYTIIIPENLTPRMHVQVKLD----TGKTFQAVIRFDTDVELTYFHNGGILNYMIRKMAK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SNP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -409804 for 7224 contacts (-56.7/contact) +
2D Compatibility (PS) -88012 + (NN) -38831 + (LL) 4976
1D Compatibility (HY) -84000 + (ID) 21950
Total energy: -637621.0 ( -88.26 by residue)
QMean score : 0.521
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