Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRAFEKIPAFQQWQKVEAIHRGWSTDLKFKVTKNQETFLLRIFQQEE-LLAKQQEYQFIKKVAA-LGFPSSKPFLCAPIP-ESEQGYMLLTYLEGEDLSDVL-PALSPKRQLNLGVEAGRYLNKIHKLLLPERISQ--REIAQNLYEKKQSQLNKYKESQFCMPYQQPIISYLEKQLPL--LQQRPVVYQHGDFHVGNFIYLP--TRQVGVIDFNRWDFGDPYEEFYKLQFFSRNVSPLFAYGQLQGYFAGKVPTLFWQFQKLYTFHAGLYSLVWALSFGEKEIRTMEQQYQQLLEDYNCGELLVPKWFSTIQRKGLRF 3N4U Chain:A ((13-285)) ---IEQLYPDFTINTIEISGEGNDCI-AYEI---NRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKINEDNK-KIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHK-DIPTVLEKYRMKEKYWSFEKIIYGKEYGYM-------------------------------------

General information: TITO was launched using: RESULT: Template: 3N4U.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 : 1147 -11614 -10.13 -44.16 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -10.13 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.321

(partial model without unconserved sides chains): PDB file : Tito_3N4U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3n4u-query.scw PDB file : Tito_Scwrl_3N4U.pdb: