Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEEMNDQMLVRRQKLQELYDLGIDPFGSKFDRSGLSSDLKEEWDQYSKEELVEKEADSHVAIAGRLMTKRGKGKAGFAHVQDLAGQIQIYVRKDQ----VGDDEFDLWKNADLGDIVGVEGVMFKTNTGELSVKAKKFTLLTKSLRPLPDKFHGLQDIEQRYRQRYLDLITNEDSTRTFINRSKIIQEMRNYLNNKGFLEVETPMMHQIAGGAAARPFVTHHNALDATLYMRIAIELHLKRLIVGGLEKVYEIGRVFRNEGVSTRHNPEFTMIELYEAYADYHDIMDLTESMVRHIANEVLGSAKVQYNGETIDLESAWTRLHIVDAVKE-ATGVDFYEVKSDEEAKALAKEHGIEIKDTMKYGHILNEFFEQKVEETLIQPTFIYGHPTEISPLAKKNPEDPRFTDRFELFIVGREHANAFTELNDPIDQKGRFEAQLVEKAQGNDEAHEMDEDYIEALEYGMPPTGGLGIGIDRLVMLLTDSPSIRDVLLFPYMRQK |
1BBU Chain:A ((13-501)) | ---DLNNELKTRREKLANLREQGI-AFPNDFRRDHTSDQLHAEFDGKENEEL--EALNIEVAVAGRMMTRRIMGKASFVTLQDVGGRIQLYVARDDLPEGVYNEQFKKW---DLGDILGAKGKLFKTKTGELSIHCTELRLLTKALRPLPD------DQEARYRQRYLDLISNDESRNTFKVRSQILSGIRQFMVNRGFMEVETPMMQVIPGGAAARPFITHHNALDLDMYLRIAPELYLKRLVVGGFERVFEINRNFRNEGISVRHNPEFTMMELYMAYADYKDLIELTESLFRTLAQDILGKTEVTYGDVTLDFGKPFEKLTMREAIKKYRPETDMADLDNFDSAKAIAESIGIHVEKSWGLGRIVTEIFEEVAEAHLIQPTFITEYPAEVSPLARRNDVNPEITDRFEFFIGGREIGNGFSELNDAEDQAQRFLDQVAAKDAGDDEAMFYDEDYVTALEHGLPPTAGLGIGIDRMVMLFTNSHTIRDVILFPAMR-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1BBU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -131945 for 3723 contacts (-35.4/contact) +
2D Compatibility (PS) -51810 + (NN) -20761 + (LL) 1180
1D Compatibility (HY) -46400 + (ID) 12750
Total energy: -262486.0 ( -70.50 by residue)
QMean score : 0.460
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