Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIEADYLVIGAGIAGASTGYWLSAHG--RVVVLEREAQPGYHSTGRSAAHYTVAYGTPQVRALTAASRAFFDNPPAGFCEHPLLSPRPEMVVDFSDDPEELRRQYESGKALVPQMRLLDAEQACSIVPVLRR------------DKVFGATYDPTGADIDTDALHQGYLRGIRRNQGQVLCNHEALEIRRV----------------DGAWEVRCDAG--SYRAAVLVNAAGAWCDAIAGLAGVRPLGLQPKRRSAFIFAPPPGIDCHDWPM----------LVSLDESFYLKPDAG---MLLGSPA----NADPVEAHDVQPEQLDIATGMYLIEEATTLTIRRPEHTWAGLRSFVADGDLVAGYAANAEGFFWVAAQGGYGIQTSAAMGEASAALIRHQPLP--AHLREHGLDEAMLSPRRLSP--- |
3VQR Chain:A ((22-446)) | -PRFDYVVVGAGVVGLAAAYYLKVWSGGSVLVVDAGHAPGSGDSGRSMAAFRTFFSSTMNRLVAGSTVRLFEDAQR-GGEDLGLVKSGYLFVYDRERWREVEEPLREAGEEGRDYLIIPPEELERRLGMNTRVSDGEEAEVLGVGDVEGAVLIRSAGFLDAEKVVDYYYRRASGAGVEFIFGRRVVGVELKPRVELGIEGEPLPWQEARASAAVLSDGTRVEVGEKLVVAAGVWSNRLLNPLGI-DTFSRPKKRMVFRVSASTEGLRRIMREGDLAGAGAPPLIILPKRVLVRPAPREGSFWVQLSDNLGRPFALEEDPQPEEHYYSLAILPILSLYLPQFQDAYPSGGWAGHYDISFDANPVVFEP-WESGIVVAAGTSGSGIMKSDSIGRVAAAVALGMESVELYGGVEMPVKWMGLEGRRYEQERL |
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General information:
TITO was launched using:
| RESULT:
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Template: 3VQR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -140328 for 3273 contacts (-42.9/contact) +
2D Compatibility (PS) -38226 + (NN) 3820 + (LL) 280
1D Compatibility (HY) -12400 + (ID) 3450
Total energy: -190304.0 ( -58.14 by residue)
QMean score : 0.391
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