Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MALLFTGACGYIGSHTARVFLEKTKENIIIIDDLSTGFLEHIKALERYYPNRVAFIQANLNETQKLDAFLNKQQLKDPIEAVLHFGAKISVEESMRLPLEYYTNNTLNTLGLVKLCLKHAIKRFIFSSTAVVYGES-GSSLSEESPLNPINPYGASKMMSERILLDASKVADFKCVILRYFNVAGACMHNDYTTPYTLGQRTLNATHLIKIACECAVGKRKKMGIFGTNYPTRDGTCIRDYIHVDDLANAHLASYHTLLEKNKSEIYNVGYNQGHSVKEVIEKVKEISNKDFLVEILDKRQGDPASLIANNSKILQNTPFKPLYNNLDTIIKSALSWEEHLLKFQ |
2C20 Chain:A ((2-326)) | NSILICGGAGYIGSHAVKKLVD-EGLSVVVVDNLQTGH-EDA------ITEGAKFYNGDLRDKAFLRDV---FTQE-NIEAVMHFAADSLVGVSMEKPLQYYNNNVYGALCLLEVMDEFKVDKFIFSSTAATYGEVDVDLITEETMTNPTNTYGETKLAIEKMLHWYSQASNLRYKIFRYFNVAGATPNG------IIGEDHRPETHLIPLVLQVALGQREKIMMFGDDYNTPDGTCIRDYIHVEDLVAAHFLGLKDLQNGGESDFYNLGNGNGFSVKEIVDAVREVTNHEIPAEVAPRRAGDPARLVASSQKAKEKLGWDPRYVNVKTIIEHAWNWHQKQPNGY |
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General information:
TITO was launched using:
| RESULT:
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Template: 2C20.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -216326 for 2834 contacts (-76.3/contact) +
2D Compatibility (PS) -35126 + (NN) -14511 + (LL) 1076
1D Compatibility (HY) -23200 + (ID) 6100
Total energy: -294187.0 ( -103.81 by residue)
QMean score : 0.522
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