Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVTKSEIVISAVKPEQYPEGGLPEIALAGRSNVGKSSFINSLINRKNLARTSSKPGKTQTLNFYIINDELHFVDVPGYGFAKVSKSEREAWGRMIETYITTREELKAVVQIVDLRHAPSNDDVQMYEFLKYYGIPVIVIATKADKIPKGKWDKHAKVVRQTL-NIDPEDELILFSSETKKGKDEAWGAIKKMINR 1PUI Chain:A ((15-198)) -----------APDIRHLPSDTGIEVAFAGRSNAGKSSALNTLTNQ-------------QLINLFEVADGKRLVDLPGYG------EMKRKWQRALGEYLEKRQSLQGLVVLMDIRHPLKDLDQQMIEWAVDSNIAVLVLLTKADKLASGARKAQLNMVREAVLAFNGDVQVETFSSLKKQGVDKLRQKLDTWFS-

General information: TITO was launched using: RESULT: Template: 1PUI.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 : 798 -83946 -105.19 -511.86 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -105.19 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.540

(partial model without unconserved sides chains): PDB file : Tito_1PUI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1PUI-query.scw PDB file : Tito_Scwrl_1PUI.pdb: