Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEPSIVLIGIVGTGAMGQGIAQLAACAGLSVLLYDSRQGVALQAREQIATVLARQVERGRLEAEAVERAMGNLRVVEDLRVLGGCQLVIEAIVENLEAKQALFRQLEEVVGDEAILASNTSSLSVTAIASACRDPGRIAGLHFFNPVPLMRLVEVIEGLATRTGIAERLCALVATFGHQAVRATDSPGFIVNHAGRAFGTEALRILGEGVAPVAAIDEVLREGAGFRMGPFELFDLVGLDVSLPVMESIYRQYYEEPRYRPHPLLRQMLAAGRLGRKSGQGFYRYDGAGQVPVAAPAVAPGAALPPVWLGVDDEHDRAPLLMLLQRLGAEVESGERPSGAPLCLLAPLGADVSAAARRFAVDPTRSLAIDVLSDLERHRCLMACPATRAELQQAARTLFARDGVGVTLIRDSAGFIVQRTLASIVNLACDIAQQGIASVEHIDLAVRLGLGYPLGPLEWGDRLGAGRVLRILERLHALSGDPRYRPSPWLRRRAQLGLSLRQPDSPLAS |
4PZE Chain:H ((2-282)) | ----SIRTVGIVGAGTMGNGIAQACAVVGLNVVMVDISDAAVQKGVATVASSLDRLIKKEKLTEADKASALARIKGSTSYDDLKATDIVIEAATENYDLKVKILKQIDGIVGENVIIASNTSSISITKLAAVTSRADRFIGMHFFNPVPVMALVELIRGLQTSDTTHAAVEALSKQLGKYPITVKNSPGFVVNRILCPMINEAFCVLGEGLASPEEIDEGMKLGCNHPIGPLALADMIGLDTMLAVMEVLYTE-FADPKYRPAMLMREMVAAGYLGRKTGRGVYVY-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4PZE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -237309 for 2337 contacts (-101.5/contact) +
2D Compatibility (PS) -30732 + (NN) -15361 + (LL) 14848
1D Compatibility (HY) -23600 + (ID) 5550
Total energy: -297704.0 ( -127.39 by residue)
QMean score : 0.489
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