Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRRSEKSKDTKARLAPKQKISYEKKPDPAITAYAVQSLNWLRQAEFLMSAPKLALCVEDSGYEIAFAGRSNAGKSSAINALTNQKQLARASKKPGRTQMINFFSLGNPDQRLVDLPGYGYAAVPEDMKRVWQKELENYLIHRKSLQGLVLLMDIRHPLQHFDMMMLEWAYSRHLFVHILLTKADKLNRGPANKVLLEVKQQLKKMKLDFSIQLFSSLNKLGLEELASVMAGRLHFTLEQQPEFDVDAIPEASDEDAEE 3PQC Chain:B ((25-192)) --------------------------------------------------------------EVAFVGRSNVGKSSLLNALFNRK-IAFVSKTPGKTRSINFY-LVNSKYYFVDLPGYGYAKVSKKERMLWKRLVEDYFKNRWSLQMVFLLVDGRIPPQDSDLMMVEWMKSLNIPFTIVLTKMDKVKMSERAKKLEEHRKVFSKYG-EYTIIPTSSVTGEGISELLDLISTLL-------------------------

General information: TITO was launched using: RESULT: Template: 3PQC.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 708 -111362 -157.29 -662.87 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -157.29 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.486

(partial model without unconserved sides chains): PDB file : Tito_3PQC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PQC-query.scw PDB file : Tito_Scwrl_3PQC.pdb: