Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTNWKEKARASFQLNDKTYHYYKLKTLEEDKLTNIEKLPYSVRVLLESVLRQADGRVIKDSHVEDLAHWSKD-GNEGEVPFKPARVILQDFTGVPAVVDLASLRKAMADLGGDPEKINPEIPVDLVVDHSVQVDSYANPEALKINMELEFKRNMERYQFLNWAQKAFDNYRAVPPATGIVHQVNLEYLANVVIANEVADGEFVAFPDSLVGTDSHTTMINGIGVLGWGVGGIEAEAGMLGQPSYFPIPEVIGVKLLGALPNGATATDFALKVTQVLREQKVVGKFVEFYGPGVATLPLADRATVANMAPEYGATCGFFPVDKEALNYLKLTGRDKEQIELVEAYLEANDLFFTPE--KVEPNYTQTVEIDLSAIEPNLAGPKRPQDLIPLSKMKETFRESITAKAGNQGFGLDKSALDKEVTVTFGNGDQSTMKTGSVAIAAITSCTNTSNPYVMLSAGLVAKKAVEKGLEVPKFVKTSLAPGSKVVTGYLEKAGLLPYLEKLGFDLVGYGCTTCIGNSGPLKEEIEEAIQDSDLLVSAVLSGNRNFEGRIHALVKANFLASPPLVVAYALAGTTNVDMLTEPIGRGNNGEEVFLDDIWPSSEEVKALVEETVTPELFREQYAHVFDENEAWNAIETTEDALYKWDENSTYIANPPFFDNLAKEAGKVEALSGLRIIGKFGDSVTTDHISPAGAIGKDTPAGKFLQEQGVAIRDFNSYGSRRGHHDVMMRGTFANIRIKNQIAPGTEGGYTTYWPTGEVMSIYDASRKYIENNTGLVILAGDDYGMGSSRDWAAKGTNLLGIKTVIAKSYERIHRSNLVMMGVLPLQFQPGEDAETLGLTGSESLQVEIGEDVAPRDLVKVTATREDGSSITFDALARFDSEVEIDYYRHGGILPMVLRGKLK |
2B3Y Chain:A ((3-888)) | ---PFAHLAEPLDPVQPGKKFFNLNKLED---SRYGRLPFSIRVLLEAAIRNCDEFLVKKQDIENILHWNVTQHKNIEVPFKPARVILQDFTGVPAVVDFAAMRDAVKKLGGDPEKINPVCPADLVIDHSIQVDFNRRADSLQKNQDLEFERNRERFEFLKWGSQAFHNMRIIPPGSGIIHQVNLEYLARVVFDQD-----GYYYPDSLVGTDSHTTMIDGLGILGWGVGGIEAEAVMLGQPISMVLPQVIGYRLMGKPHPLVTSTDIVLTITKHLRQVGVVGKFVEFFGPGVAQLSIADRATIANMCPEYGATAAFFPVDEVSITYLVQTGRDEEKLKYIKKYLQAVGMFRDFNDPSQDPDFTQVVELDLKTVVPCCSGPKRPQDKVAVSDMKKDFESCLGAKQGFKGFQVAPE-HHNDHKTFIYDNTEFTLAHGSVVIAAITSCTNTSNPSVMLGAGLLAKKAVDAGLNVMPYIKTSLSPGSGVVTYYLQESGVMPYLSQLGFDVVGYGCMTCIGNSGPLPEPVVEAITQGDLVAVGVLSGNRNFEGRVHPNTRANYLASPPLVIAYAIAGTIRIDFEKEPLGVNAKGQQVFLKDIWPTRDEIQAVERQYVIPGMFKEVYQKIETVNESWNALATPSDKLFFWNSKSTYIKSPPFFENLTLDLQPPKSIVDAYVLLNLGDSVTTDHISPAGNIARNSPAARYLTNRGLTPREFNSYGSRRGNDAVMARGTFANIRLLNRFLN-KQAPQTIHLPSGEILDVFDAAERYQQAGLPLIVLAGKEYGAGSSRDWAAKGPFLLGIKAVLAESYERIHRSNLVGMGVIPLEYLPGENADALGLTGQERYTIIIPENLKPQMKVQVKL--DTG--KTFQAVMRFDTDVELTYFLNGGILNYMIRKMAK |
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General information:
TITO was launched using:
| RESULT:
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Template: 2B3Y.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -410484 for 8562 contacts (-47.9/contact) +
2D Compatibility (PS) -94849 + (NN) -41919 + (LL) 604
1D Compatibility (HY) -87200 + (ID) 22950
Total energy: -656798.0 ( -76.71 by residue)
QMean score : 0.532
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