Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTVRVGINGFGRIGRNFYRALLAQ-QEQGTADVEVVAANDITDNSTLAHLLKFDSILGRLPCD-VGLEGDDTIVVGRAKIKALAVREGPAALPWGDLGVDVVVESTGLFTNAAKAKGHLDAGAKKVIISAPATDEDITIVLGVNDDKYDGSQNIISNASCTTNCLAPLAKVLDDEFGIVKGLMTTIHAYTQDQNLQDGPHKDLRRARAAALNIVPTSTGAAKAIGLVMPQLKGKLDGYALRVPIPTGSVTDLTVDLSTRASVDEINAAFKAAAEGRLKGILKYYDAPIVSSDIVTDPHSSIFDSGLTKVID-DQAKVVSWYDNEWGYSNRLVDLVTLVGKSL |
4BOY Chain:A ((17-352)) | SMVRVAINGFGRIGRNFMRCWLQRKAN---SKLEIVGINDTSDPRTNAHLLKYDSMLGIFQDAEITAD-DDCIYAGGHAVKCVSDR-NPENLPWSAWGIDLVIEATGVFTSREGASKHLSAGAKKVLITAPGKGNIPTYVVGVNHHTYDPSEDIVSNASCTTNCLAPIVKVLHEAFGIQQGMMTTTHSYTGDQRLLDASHRDLRRARAAAMNIVPTSTGAAKAVGLVIPELQGKLNGIALRVPTPNVSVVDFVAQVEKPTIAEQVNQVIKEASETTMKGIIHYSELELVSSDYRGHNASSILDASLTMVLGGNLVKVVAWYDNEWGYSQRVLDLAEHMAAH- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BOY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -168638 for 2927 contacts (-57.6/contact) +
2D Compatibility (PS) -35217 + (NN) -8449 + (LL) 108
1D Compatibility (HY) -31200 + (ID) 8650
Total energy: -252046.0 ( -86.11 by residue)
QMean score : 0.555
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