Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSAKDFLVELGTEELPPKALNSLGEAFLSGIEKGLKAAGLSYAAARFYAAPRRLAVLVEQLAVQQPDRTVNLDGPPLQAAFDASGNPTQAALGFAKKCGVDLQQIDKSGPKLRFIQTIAGQPAAGLLPGIVEASLNELPIPKRMRWAARREEFVRPTQWLVMLFGDDVVECEILAQKAGRESRGHRFHNPDNVRISSPAAYLEDLRGAHVLADFAERRELIAKRVAELAAEQQGSAIVPPSLLDEVTALVEWPVPLVCSFEERFLEVPQEALITTMQDNQKYFCLLDANGKLLPRFITVANVESKAPENIVSGNEKVVRPRLTDAEFFFKQDKKQPLESFNERLRNVVFQAQLGTVFEKAQRVSGLAAYIAERIGGNAQNASRAGILSKCDLATEMVGEFPEMQGIAGYYYATHGGEAEDVALALNEQYMPRGAGAELPSTLTGAAVAVADKLDTLVGIFGIGMLPTGSKDPYALRRAALGVLRILIEKQLDLDLVAAVNAAVEQYGDKVKAAGLAEQVLDFVFDRLRARYEDEGVDVAVYQSVRALKPSSPLDFDQRVQAVQAFRQLPEAEALAAANKRVSNILAKSED-EVPP-------NVDASLLVEAAEKALGSAVANAESEVAPLAAARDYRAALARLAALREPVDTFFADVMVNVDDAAVRANRYALLAKLRGSFLGVADISLLG |
2ZUE Chain:A ((504-617)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------APYIQYAHARCSSILRKAEEEGIKVDPETLFKNADFT-KLSERERELVIMLSKFPRIVEQAGKDVKPHLIAWFANELASLFNKFYMDHPVLKAEEGVREARLLLVMAVEQVLKNALYLMGIE |
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General information:
TITO was launched using:
| RESULT:
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Template: 2ZUE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -24457 for 732 contacts (-33.4/contact) +
2D Compatibility (PS) -11934 + (NN) -10661 + (LL) 42152
1D Compatibility (HY) -3600 + (ID) 1050
Total energy: -9550.0 ( -13.05 by residue)
QMean score : 0.536
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