Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRRSEKSKDTKARLAPKQKISYEKKPDPAITAYAVQSLNWLRQAEFLMSAPKLALCVEDSGYEIAFAGRSNAGKSSAINALTNQKQLARASKKPGRTQMINFFSLGNPDQRLVDLPGYGYAAVPEDMKRVWQKELENYLIHRKSLQGLVLLMDIRHPLQHFDMMMLEWAYSRHLFVHILLTKADKLNRGPANKVLLEVKQQLKKMKLDFSIQLFSSLNKLGLEELASVMAGRLHFTLEQQPEFDVDAIPEASDEDAEE 3PR1 Chain:A ((25-192)) --------------------------------------------------------------EVAFVGRSNVGKSSLLNALFN--------------RSINFY-LVNSKYYFVDLPGY-------KERMLWKRLVEDYFKNRWSLQMVFLLVDGRIPPQDSDLMMVEWMKSLNIPFTIVLTKMDKVKMSERAKKLEEHRKVFSKYG-EYTIIPTSSVTGEGISELLDLISTLL-------------------------

General information: TITO was launched using: RESULT: Template: 3PR1.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 : 643 -121315 -188.67 -819.69 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -188.67 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.507

(partial model without unconserved sides chains): PDB file : Tito_3PR1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PR1-query.scw PDB file : Tito_Scwrl_3PR1.pdb: