Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTNWKEKARASFQLNDKTYHYYKLKTLEEDKLTNIEKLPYSVRVLLESVLRQADGRVIKDSHVEDLAHWSKDGNEG-EVPFKPARVILQDFTGVPAVVDLASLRKAMADLGGDPEKINPEIPVDLVVDHSVQVDSYANPEALKINMELEFKRNMERYQFLNWAQKAFDNYRAVPPATGIVHQVNLEYLANVVIANEVADGEFVAFPDSLVGTDSHTTMINGIGVLGWGVGGIEAEAGMLGQPSYFPIPEVIGVKLLGALPNGATATDFALKVTQVLREQKVVGKFVEFYGPGVATLPLADRATVANMAPEYGATCGFFPVDKEALNYLKLTGRDKEQIELVEAYLEANDLF--FTPEKVEPNYTQTVEIDLSAIEPNLAGPKRPQDLIPLSKMKETFRESITAKAGNQGFGLDKSALDKEVTVTFGNGDQSTMKTGSVAIAAITSCTNTSNPYVMLSAGLVAKKAVEKGLEVPKFVKTSLAPGSKVVTGYLEKAGLLPYLEKLGFDLVGYGCTTCIGNSGPLKEEIEEAIQDSDLLVSAVLSGNRNFEGRIHALVKANFLASPPLVVAYALAGTTNVDMLTEPIGRGNNGEEVFLDDIWPSSEEVKALVEETVTPELFREQYAHVFDENEAWNAIETTEDALYKWDENSTYIANPPFFDNLAKEAGKVEALSGLRIIGKFGDSVTTDHISPAGAIGKDTPAGKFLQEQGVAIRDFNSYGSRRGHHDVMMRGTFANIRIKNQIAPGTEGGYTTYWPTGEVMSIYDASRKYIENNTGLVILAGDDYGMGSSRDWAAKGTNLLGIKTVIAKSYERIHRSNLVMMGVLPLQFQPGEDAETLGLTGSESLQVEIGEDVAPRDLVKVTATREDGSSITFDALARFDSEVEIDYYRHGGILPMVLRGKLK |
3SN2 Chain:A ((34-889)) | ------------------------------------RLPFSIRVLLEAAVRNCDKFLVKKEDIENILNWNVTQHMNIEVPFKPARVILQDFTGVPSVVDFAAMRDAVKKLGGDPEKINPICPVDLVID---------------------FERNRERFEFLKWGSKAFRNMRIIPPGSGIIHQVNLEYLARVVFDQ---DGYY--YPDSLVGTDSHTTMIDGLGVLGWGVGGIEAEAVMLGQPISMVLPQVIGYRLMGKPHPLVTSTDIVLTITKHLRQVGVVGKFVEFFGPGVAQLSIADRATIANMCPEYGATATFFPVDEVSIKYLVQTGRDESKVKQIRKYLQAVGMFRDYSDPSQDPDFTQVVELDLKTVVPCCSGPKRPQDKVAVSDMKKDFESCLGAKQGFKGFQVAPDHHNDHKTFIY-NDSEFTLSHGSVVIAAITSSTNTSNPSVMLGAGLLAKKAVDAGLNVKPYVKTSLSPGSGVVTYYLRESGVMPYLSQLGFDVV------------PLPEPVVEAITQGDLVAVGVLSGNRNFEGRVHPNTRANYLASPPLVIAYAIAGTIRIDFEKEPLGTNAKGQQVFLRDIWPTREEIQAVERQYVIPGMFTEVYQKIETVNAS-------SDKLYLWNPKSTYIKSPPFFENLTLDLQPPKSIVDAYVLLNLGDSVTTDHISPAGNIARNSPAARYLTNRGLTPREFNSYGSRRGNDAIMARGTFANIRLLNRFL-NKQAPQTIHLPSGETLDVFDAAERYQQEGHPLIVLAGKEYGSGSSRDWAAKGPFLLGIKAVLAESYERIHRSNLVGMGVIPLEYLPGENADSLGLTGRERYTIIIPENLTPRMHVQVKLD----TGKTFQAVIRFDTDVELTYFHNGGILNYMIRKMAK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SN2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -415863 for 7222 contacts (-57.6/contact) +
2D Compatibility (PS) -87693 + (NN) -37410 + (LL) 5224
1D Compatibility (HY) -83600 + (ID) 21800
Total energy: -641142.0 ( -88.78 by residue)
QMean score : 0.511
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