Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGLQYSSRLTVMEYPPTYPSVIPNIEIVMTYTFNRPAFPATRMRRIRKNDQLRAMVSETQLTTNHLIYPVFVLPGQNQTQDIPSMPNIQRLSADLLLKKAERLLELGVSKLALFPVTPQEDKSLTAEAAWREDGLVQTTCRLLKKELPEMVLITDGALDPYTTHGQDGIIDETGYVLNDETVECLIKQALSHAEAGAEVIAPSDMMDGRIGAIRQALEANGHIYTNIMAYSAKYASSFYGPFRDAVGSASNLKGGNKYNYQMDFANRAEALHEIALDIQEGADMVIVKPGMPYLDVVREVKDTFGIPTFIYQVSGEYAMLAGAIQNGWLSDSVILESLMCCRRAGADGIWTYFAETAAEKLKEMN 1W5O Chain:A ((7-334)) ----------------------------------NRAYPYTRLRRNRRDDFSRRLVRENVLTVDDLILPVFVLDGVNQRESIPSMPGVERLSIDQLLIEAEEWVALGIPALALFPVTPVEKKSLDAAEAYNPEGIAQRATRALRERFPELGIITDVCLCPFTTHGQCGILDDDGYVLNDVSIDVLVRQALSHAEAGAQVVAPSDMMDGRIGAIREALESAGHTNVRVMAYSAKYASAYYGPFRDAVGSASNLGKGNKATYQMDPANSDEALHEVAADLAEGADMVMVKPGMPYLDIVRRVKDEFRAPTFVYQVSGEYAMHMGAIQNGWLAESVILESLTAFKRAGADGILTYFAKQAAEQLR---

General information: TITO was launched using: RESULT: Template: 1W5O.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 : 1833 -205245 -111.97 -625.75 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -111.97 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.599

(partial model without unconserved sides chains): PDB file : Tito_1W5O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1W5O-query.scw PDB file : Tito_Scwrl_1W5O.pdb: