Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDPQNIANLPSQPTENRVLKANHKTPAARYNIKVLRALQHTLKGSPEADLASLLPSTYSKKLQSFKDSAVHPSTSATGSFDSKPSFLDNDVRSRIDAADQSMTLVQLSSELNGLLQPHKDLSTGLVNLLANSEVLYESAWAASIMVFRVSENLVVKVTVDERSTLNEHRSLAYLQQHQHRFPAPRPHGVVRLGQFCLLFTSFIPGITLEKAWSRFDNMEKTAISNQLDTLVATLRLIPFPENTTLGGVLGGGCKDARRGIRLNSEPIFNVKQFEDFIFAGSETASPLYTNLLRSLMPSLPATCVFSHGDLRPANIMVCQ-REDGSWRIVGIIDWESSGFYPEYWDCVKATNNLTPREQVDWYSFLPDQISPHRYPTQWLVDRLWDRSMVNG 4CG9 Chain:A ((119-262)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GPKLYGIFPQGRL----EQFIPSRRLDT-----EELSLPDISAEIAEKMATFHGMKMPFNKEPKWLFGTMEKYLKEVLRIKFTEESRIKKLHKLL----SYNLPLELENLRSLLESTPSPVVFCHNDCQEGNILLLEGRENSEKQKLMLIDFEYSSY----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4CG9.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 : 338 -37986 -112.38 -265.64 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -112.38 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.138

(partial model without unconserved sides chains): PDB file : Tito_4CG9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4cg9-query.scw PDB file : Tito_Scwrl_4CG9.pdb: