Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTTAVTGEHHASVQRIQLRISGMSCSACAHRVESTLNKLPGVRAAVNFGTRVATIDTSEAVDAAALCQAVRRAGYQADLCTDDGRSASDPDADHARQLLIRLAIAAVLFVPVADLSVMFGVVPATRFTGWQWVLSALALPVVTWAAWPFHRVAMRNARHHAASMETLISVGITAATIWSLYTVFGNHSPIERSGIWQALLGSDAIYFEVAAGVTVFVLVGRYFEARAKSQAGSALRALAALSAKEVAVLLPDGSEMVIPADELKEQQRFVVRPGQIVAADGLAVDGS-AAVDMSAMTGEAKPTRVRPGGQ----------VIGGTTVLDGRLIVEAAAVGADTQFAGMVRLVEQAQAQKADAQRLADRISSVFVPAVLVIAALTAAGWLIAGGQPDRAVSAALAVLVIACPCALGLATPTAMMVASGRGAQLGIFLKGYKSLEATRAVDTVVFDKTGTLTTGRLQVSAV-------------------TAAPGWEADQVLALAATVEAA------------------SEHSVALAIAAA------TTRRDAVTDFRAIPG-------------------------RGVSGTVSGRAVRV--GKPSWIGSSSCHPNMRAARRHAESLGETAV---FVEVDGEP---------------------CGVIAVADAVKDSARDAVAALADRGLRTMLLTGDNPESAAAVATRVGI-----------------------------------------------------DEVIADILPEGKVDVIEQLRDRGHVVAMVGDGINDGPALARADLGMAIG-RGTDVAIGAADIILVRDHLDVVPLALDLARATMRTVKLNMVWAFGYNIAAIPVAAAGLLNPLVAGAAMAFSSFFVVSNSLRLRKFGRYPLGCGTVGGPQMTAPSSA----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
3B8E Chain:A ((1-998)) | ------AKKERDMDELKKEVSMDDHKLSLDELHRKYG-----------------TDLSRGLTPARAAEILARDG-PNALTPPPTTPEWVKFCRQLFGGFSMLLWIGAILCFLA--------------------------------------------------------------------------YGIQAATEEEPQNDNLYLGVVLSAVVIITGCFSYYQEAKSSK----IMESFKNMVPQQ-ALVIRNGEKMSINAEEVVVGDLVEVKGGDRIPADLRIISANGCKVDNSSLTGESEPQTRSPDFTNENPLETRNIAFFSTNCVEGTARGIVVYTGDRTVMGRIATLASGLEGGQTPIAAEIEHFIHIITGVAVFLGVSFFILSLILEYTWLEAVIFLIGIIVANVPEGLLATVTVCLTLTAKRMARKNCLVKNLEAVETLGSTSTICSDKTGTLTQNRMTVAHMWSDNQIHEADTTENQSGVSFDKTSATWLALSRIAGLCNRAVFQANQENLPILKRAVAGDASESALLKCIELCCGSVKEMRERYTKIVEIPFNSTNKYQLSIHKNPNTAEPRHLLVMKGAPERILDRCSSILIHGKEQPLDEELKDAFQNAYLELGGLGERVLGFCHLFLPDEQFPEGFQFDTDDVNFPLDNLCFVGLISMIDPPRAAVPDAVGKCRSAGIKVIMVTGDHPITAKAIAKGVGIISEGNETVEDIAARLNIPVSQVNPRDAKACVVHGSDLKDMTSEQLDDILKYHTEIVFARTSPQQKLIIVEGCQRQGAIVAVTGDGVNDSPASKKADIGVAMGIAGSDVSKQAADMILLDDNFASIVTGVEEGRLIFDNLKKSIAYTLTSNIPEITPFLIFIIA----NIPLPLGTVTILCIDLGTDMVPAISLAYEQAESDIMKRQPRNPKTDKLVNEQLISMAYGQIGMIQALGGFFTYFVILAENGFLPIHLLGLRVNWDDRWINDVEDSYGQQWTYEQRKIVEFTCHTPFFVTIVVVQWADLVICKTRRNSVFQQGMKNKILIFGLFEETALAAFLSYCPGMGVALRMYPLKPTWWFCAFPYSLLIFVYDEVRKLIIRRRPGGWVEKETYY |
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General information:
TITO was launched using:
| RESULT:
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Template: 3B8E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -328571 for 5439 contacts (-60.4/contact) +
2D Compatibility (PS) -68303 + (NN) -14153 + (LL) 9224
1D Compatibility (HY) -29200 + (ID) 6400
Total energy: -437403.0 ( -80.42 by residue)
QMean score : 0.299
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