Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQFRKTLNIGIMLKIVLSEIGMTQGLLAGKRFLTAGVASKLSIAYGIAQALHREGAELAFTYPNEKLKKRVDEFAEQFGSKLVFPCDVAVDAEIDNAFAELAKHWDGVDGVVHSIGFAPAHTLDGDFTDVTDRDGFKIAHDISAYSFVAMARAAKPLLQARQGCLLTLTYQGSERVMPNYNVMGMAKASLEAGVRYLASSLGVDGIRVNAISAGPIRTLAASGIKSFRKMLDANEKVAPLKRNVTIEEVGNAALFLCSPWASGITGEILYVDAGFNTVGMSQSMMDDE 1DFI Chain:B ((1-257)) ------------------------GFLSGKRILVTGVASKLSIAYGIAQAMHREGAELAFTYQNDKLKGRVEEFAAQLGSDIVLQCDVAEDASIDTMFAELGKVWPKFDGFVHSIGFAPGDQLDGDYVNAVTREGFKIAHDISSYSFVAMAKACRSMLNPGSA-LLTLSYLGAERAIPNYNVMGLAKASLEANVRYMANAMGPEGVRVNAISAGPIRTL----------MLAHCEAVTPIRRTVTIEDVGNSAAFLCSDLSAGISGEVVHVDGGFSIAAMNE------

General information: TITO was launched using: RESULT: Template: 1DFI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1322 -169857 -128.48 -687.68 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.85 3D Compatibility (PKB) : -128.48 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.558

(partial model without unconserved sides chains): PDB file : Tito_1DFI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1DFI-query.scw PDB file : Tito_Scwrl_1DFI.pdb: