Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKTAFLFAGQGAQYLGMGRDFYDQYPIVKETIDRASQVLGYDLRYLIDT-EEDKLNQTRYTQPAILATSVAIYRLLQEKGYQ-PDMVAGLSLGEYSALVASGALDFEDAVALVAKRGAYMEEAAPADSGKMVAVLNTPVEVIEEACQKASELGVVTPANYNTPAQIVIAGEVVAVDRAVELLQEAGAKRLIPLKVSGPFHTSLLEPASQKLAETLAQVSFSDFTCPLVGNTEAAVMQKED-IAQLLTRQVKEPVRFYESIGVMQEAGISNFIEIGPGKVLSGFVKKIDQTAHLAHVEDQASLVALLEK 2G2Y Chain:A ((2-306)) --QFAFVFPGQGSQTVGMLADMAASYPIVEETFAEASAALGYDLWALTQQGPAEELNKTWQTQPALLTASVALYRVWQQQGGKAPAMMAGHSLGEYSALVCAGVIDFADAVRLVEMRGKFMQEAVPEGTGAMAAIIGLDDASIAKACEEAAEGQVVSPVNFNSPGQVVIAGHKEAVERAGAACKAAGAKRALPLPVSVPSHCALMKPAADKLAVELAKITFNAPTVPVVNNVDVKCETNGDAIRDALVRQLYNPVQWTKSVEYMAAQGVEHLYEVGPGKVLTGLTKRIVDTLTASALNEPSAMAAAL--

General information: TITO was launched using: RESULT: Template: 2G2Y.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1845 -20618 -11.17 -68.27 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -11.17 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.595

(partial model without unconserved sides chains): PDB file : Tito_2G2Y.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2G2Y-query.scw PDB file : Tito_Scwrl_2G2Y.pdb: