Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDELIMESLISRIKNNFPEINIKKFYAIESGWMNYIIV--INDAIVFRFPKTRKMVKKFQKEIRLLSILHNP-PVKVPEYVFISKDEPVY----GGYYKINGVPLNNS------KSLGKGILSDFIRFLNYLKSYNGYKFHSNDIDIYNYKTWKYYENSLIQMFSESLADHIKESYFNNIVNLMESAFSDLEPDDF------SLIHGDLSNGNVIINRRHDRINGIIDWSDSCYGDMALDIAAIVDN---YPIAALDPLLLNYEQKFSHRAIKRVLFYRAVSPLYYAHYMARTGNNDLKNYCDQIINGRKYKIRMGAAEKMLKNK 3SG8 Chain:A ((28-261)) -----------------------------SGEGNDCIAYEINRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKI-----NEDNKKIKKLLSRELKGPQMKKVDDF----YRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYK----HKDIPTVL-------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3SG8.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 : 851 26770 31.46 126.27 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : 31.46 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.334

(partial model without unconserved sides chains): PDB file : Tito_3SG8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3sg8-query.scw PDB file : Tito_Scwrl_3SG8.pdb: