Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDPQNIANLPSQPTENRVLKANHKTPAARYNIKVLRALQHTLKGSPEADLASLLPSTYSKKLQSFKDSAVHPSTSATGSFDSKPSFLDNDVRSRIDAADQSMTLVQLSSELNGLLQPHKDLSTGLVNLLANSEVLYESAWAASIMVFRVSENLVVKVTVDERSTLNEHRSLAYLQQHQHRFPAPRPHGVVRLGQFCLLFTSFIPGITLEKAWSRFDNMEKTAISNQLDTLVATLRLIPFPENTTLGGVLGGGCKDARRGIRLNSEPIFNVKQFEDFIFAGSETASPLYTNLLRSLMPSLPATCVFSHGDLRPANIMVCQ-REDGSWRIVGIIDWESSGFYPEYWDCVKATNNLTPREQVDWYSFLPDQISPHRYPTQWLVDRLWDRSMVNG 5W6O Chain:A ((114-257)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GPKLYGIFPQGRL----EQFIPSRRLDT-----EELSLPDISAEIAEKMATFHGMKMPFNKEPKWLFGTMEKYLKEVLRIKFTEESRIKKLHKLL----SYNLPLELENLRSLLESTPSPVVFCHNDCQEGNILLLEGRENSEKQKLMLIDFEYSSY----------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5W6O.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 : 336 -37700 -112.20 -263.64 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -112.20 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.128

(partial model without unconserved sides chains): PDB file : Tito_5W6O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5w6o-query.scw PDB file : Tito_Scwrl_5W6O.pdb: