Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEEMNDQMLVRRQKLQELYDLGIDPFGSKFDRSGLSSDLKEEWDQYSKEELVEKEADSHVAIAGRLMTKRGKGKAGFAHVQDLAGQIQIYVRKDQVGDDEFDLWKNADLGDIVGVEGVMFKTNTGELSVKAKKFTLLTKSLRPLPDKFHGLQDIEQRYRQRYLDLITNEDSTRTFINRSKIIQEMRNYLNNKGFLEVETPMMHQIAGGAAARPFVTHHNALDATLYMRIAIELHLKRLIVGGLEKVYEIGRVFRNEGVSTRHNPEFTMIELYEAYADYHDIMDLTESMVRHIANEVLGSAKVQYNGETIDLESAWTRLHIVDAVKEATGVDFYEVKSDEEAKALAKEHGIEIKDTMKYGHILNEFFEQKVEETLIQPTFIYGHPTEISPLAKKNPEDPRFTDRFELFIVGREHANAFTELNDPIDQKGRFEAQLVEKAQGNDEAHEMDEDYIEALEYGMPPTGGLGIGIDRLVMLLTDSPSIRDVLLFPYMRQK |
3A74 Chain:A ((4-492)) | ---ELNDQLRVRREKLKKIEELGVDPFGKRFERTHKAEELFELYGDLSKEELE--EQQIEVAVAGRIMTKRGMGKAGFAHIQDVTGQIQIYVRQDDVGEQQYELFKISDLGDIVGVRGTMFKTKVGELSIKVSSYEFLTKALRPLPE-----KDIEQRYRQRYLDLIMNPESKKTFITRSLIIQSMRRYLDSHGYLEVETPMMHAVAGGAAARPFITHHNALDMTLYMRIAIELHLKRLIVGGLEKVYEIGRVFRNEGISTRHNPEFTMLELYEAYADFRDIMKLTENLIAHIATEVLGTTKIQYGEHLVDLTPEWRRLHMVDAIKEYVGVDFWRQMSDEEARELAKEHGVEVAPHMTFGHIVNEFFEQKVEDKLIQPTFIYGHPVEISPLAKKNPDDPRFTDRFELFIVGREHANAFTELNDPIDQRQRFEEQLKEREQGNDEAHEMDEDFLEALEYGMPPTGGLGIGVDRLVMLLTNSPSIRDVLLFPQMRH- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3A74.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -161333 for 3893 contacts (-41.4/contact) +
2D Compatibility (PS) -52076 + (NN) -19818 + (LL) 760
1D Compatibility (HY) -58800 + (ID) 17550
Total energy: -308817.0 ( -79.33 by residue)
QMean score : 0.441
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