Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQSRFKQSKLFFWTVELVLTIIGVYFILQMPNIFSPILKMLSAIFLPLLVAGFIYYMFDPIVVFLEKHRIPRVFGFLLTFLVVIILVVLTVMNVVPQLMEQTIQLTQSLPMYADETSKWLNELAQREEFKNFNLEEQLASANLSLSNLFNIILVSLSASVSKIISFMMQFFILLFTVPFILLFMFKDGHKFIDALSHFFPKAIRKELRQTVKELNETLSAYISSTILDALIIGVMSFLAMRIFDQPYSLLLAVICGITNIIPYVGPFIGAVPAIIVGLFISPFQALYMALSILVIQQLDGNLIKPLLFGKSMNIHPLTIILVLIGAGSVAGILGMLICIPVYAVIKTIILNIRKIYLLRRMEHVSEKLDSPKVLEETSE 5BUO Chain:A ((162-201)) ---------------------------------------------------------------------------------------VMTHLRVIYERMNQSLSLLYNVPAVAEEIQDEVDELLQKE------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5BUO.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 : 26 -6181 -237.71 -154.51 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.39 3D Compatibility (PKB) : -237.71 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.39 QMean score : 0.590

(partial model without unconserved sides chains): PDB file : Tito_5BUO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BUO-query.scw PDB file : Tito_Scwrl_5BUO.pdb: