Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDELIMESLISRIKNNFPEINIKKFYAIESGWMNYIIVINDAIVFRFPKTRKMVKKFQKEIRLLSILHNP-PVKVPEYVFISKDEPVY----GGYYKINGVPLNNS------KSLGKGILSDFIRFLNYLKSYNGYKFHSNDIDIYNYKTWKYYENSLIQMFSESLADHIKESYFNNIVNLMESAFSDLEPDDF------SLIHGDLSNGNVIINRRHDRINGIIDWSDSCYGDMALDIAAIVDN---YPIAALDPLLLNYEQKFSHRAIKRVLFYRAVSPLYYAHYMARTGNNDLKNYCDQIINGRKYKIRMGAAEKMLKNK 3SG9 Chain:A ((39-261)) --------------------------------------INRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKI-----NEDNKKIKKLLSRELKGPQMKKVDDF----YRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYK----HKDIPTVL-------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3SG9.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 : 774 2922 3.78 14.39 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 3.78 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.303

(partial model without unconserved sides chains): PDB file : Tito_3SG9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3sg9-query.scw PDB file : Tito_Scwrl_3SG9.pdb: