Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSIITEVYAREVLDSRGNPTVEVEVYTEAGAFGRALVPSGASTGEYEAVELRDGDKARYLGKGVLKAVENVNDIIADKIIGFDVTDQIGIDKAMIELDGTPNKGKLGANAILGVSLAAARAAADELGVHLYEYLGGVNGKVLPVPMMNILNGGEHADNNVDVQEFMVMPVGAPNFKEALRMGAEILHALKAVLKGKGLNTGVGDEGGFAPNLKSNEEALETIMQAIKDAGYKPGEEVKLAMDAASSEFYNRETGKYELKGEGVTRTSEEMVTWYEEMITKYPIISIEDGLDENDWDGFKLLTERIGDRVQLVGDDLFVTNTTKLKEGIEKGIANSILIKVNQIGTLTETLDAIEMAKRAGYTAVISHRSGETEDSTIADIAVATNAGQIKTGAPTRTDRVAKYNQLLRIEDNLADLAEYHGNDTFYNLKK |
3UJ2 Chain:F ((28-449)) | ---IEKVIGREIIDSRGNPTVEAEVYLAGGVTGRGTAPSG---GEFEALELRDGDKGRFGGKGVTKAVQNINTEISEILSGMDASDIYAVDRAMIDADGTKDKSKFGANAVLAVSIACAKAAAAALGVPLYRFLGGLNANRLPVPMMNILNGGAHAANTVDVQEFMIMPVGAESFREALRQCTEVFHALAGLLKSKGLATSVGDEGGFAPDLASDEEAIEYILEAVKLAGYEPGRDFVLAMDAASSEWKGEKKGEYILPKCKRKFASEELVAHWKSLCERYPIVSIEDGLDEEDWEGWQYMTRELGDKIQLVGDDLFVTNTERLNKGIKERCGNSILIKLNQIGTVSETLEAIKMAHKAGYTAVVSHRSGETEDTTIADLAVALNTGQIKTGAPSRSERVAKYNQLLRIEEELGDSAVYPGFTTF----- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3UJ2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -139840 for 3987 contacts (-35.1/contact) +
2D Compatibility (PS) -46541 + (NN) -29903 + (LL) 868
1D Compatibility (HY) -40400 + (ID) 12950
Total energy: -268766.0 ( -67.41 by residue)
QMean score : 0.605
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