Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSAKDFLVELGTEELPPKALNSLGEAFLSGIEKGLKAAGLSYAAARFYAAPRRLAVLVEQLAVQQPDRTVNLDGPPLQAAFDASGNPTQAALGFAKKCGVDLQQIDKSGPKLRFIQTIAGQPAAGLLPGIVEASLNELPIPKRMRWAARREEFVRPTQWLVMLFGDDVVECEILAQKAGRESRGHRFHNPDNVRISSPAAYLEDLRGAHVLADFAERRELIAKRVAELAAEQQGSAIVPPSLLDEVTALVEWPVPLVCSFEERFLEVPQEALITTMQDNQKYFCLLDANGKLLPRFITVANVESKAPENIVSGNEKVVRPRLTDAEFFFKQDKKQPLESFNERLRNVVFQAQLGTVFEKAQRVSGLAAYIAERIGGNAQNASRAGILSKCDLATEMVGEFPEMQGIAGYYYATHGGEAEDVALALNEQYMPRGAGAELPSTLTGAAVAVADKLDTLVGIFGIGMLPTGSKDPYALRRAALGVLRILIEKQLDLDLVAAVNAAVEQYGDKVKAAGLAEQVLDFVFDRLRARYEDEGVDVAVYQSVRALKPSSPLDFDQRVQAVQAFRQLPEAEALAAANKRVSNILAKSEDEVPPNVDASLLVEAAEKALGSAVANAESEVAPLAAARDYRAALARLAALREPVDTFFADVMVNVDDAAVRANRYALLAKLRGSFLGVADISLLG |
2QK1 Chain:A ((373-427)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LGIYGHIIQKDANIQAVALAAQSVELICDKLKTPGFSKDYVSLVFTPLLDRTKEK------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2QK1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -28263 for 340 contacts (-83.1/contact) +
2D Compatibility (PS) -5767 + (NN) -4283 + (LL) 46344
1D Compatibility (HY) -4800 + (ID) 800
Total energy: 2431.0 ( 7.15 by residue)
QMean score : 0.566
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