Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRRSEKSKDTKARLAPKQKISYEKKPDPAITAYAVQSLNWLRQAEFLMSAPKLALCVEDSGYEIAFAGRSNAGKSSAINALTNQKQLARASKKPGRTQMINFFSLGNPDQRLVDLPGYGYAAVPEDMKRVWQKELENYLIHRKSLQGLVLLMDIRHPLQHFDMMMLEWAYSRHLFVHILLTKADKLNRGPANKVLLEVKQQLKKMKLDFSIQLFSSLNKLGLEELASVMAGRLHFTLEQQPEFDVDAIPEASDEDAEE 1PUI Chain:A ((11-198)) ---------------------------------------------FVMSAPDIRHLPSDTGIEVAFAGRSNAGKSSALNTLTNQQL-------------INLFEVA-DGKRLVDLPGYGEM------KRKWQRALGEYLEKRQSLQGLVVLMDIRHPLKDLDQQMIEWAVDSNIAVLVLLTKADKLASGARKAQLNMVREAVLAFNGDVQVETFSSLKKQGVDKLRQKLDTWFS------------------------

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 : 831 -124579 -149.91 -737.15 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -149.91 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.529

(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: