Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIVLTLGGGLGNQMFQYGYARYIQKIHREKFIYINDSEVIKEADRFNSLGNLNTVNIKVLPRIISKPLNETERLVRKIMVRLFGVAGFNESAIFQSLNKFGIYYHPSVYKFYESLKTGFPIKIIEGGFQSWKYLETCPEIKQELRVKYEPMGENLRLLNLISQSESVCVHIRRGDYLSPKYKHLNVCDYQYYFESMNYIISKLNNPTFFIFSNTSDDLDWIKENYSLPGKIVYVKNDNPDYEELRLMYSCKHFIISNSTFSWWAQYLSNNSGIVIAPEIWNRLNHDGIADLYMPNWITMKVNR 3ONB Chain:A ((145-181)) -----------------------------------------------------------------------EELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKPAV---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3ONB.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 : 69 -12600 -182.61 -340.54 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain A : 0.52 3D Compatibility (PKB) : -182.61 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.352

(partial model without unconserved sides chains): PDB file : Tito_3ONB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ONB-query.scw PDB file : Tito_Scwrl_3ONB.pdb: