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

General information: TITO was launched using: RESULT: Template: 1DFH.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 : 1376 -165932 -120.59 -645.65 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.87 3D Compatibility (PKB) : -120.59 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.567

(partial model without unconserved sides chains): PDB file : Tito_1DFH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1DFH-query.scw PDB file : Tito_Scwrl_1DFH.pdb: