Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVSQPVRSAAEWTAGDVAGVLAQACPAARVTSIRPGPPSYSNCLWLAETVDGRLLVRIPGRSADPEYVRATVTATHLASA-AGVPTVRYHEFVPQTP-LGLPVTIQEYLPGESGTAAL--RADRADLRLLASTLGDWLGTLHGVRRETFGAVTGSGERTTWTAAATDQVETALRAVPEAALP-ASPATIAAAFARVVAELG-PGEPASLVHGDLYLDNMLVDN--GAPAALLDFEHAHYYDRFADFGKLSELLFEWWPGAEEPFLESYRDHFPPDPADEVRLRLGVGLYALNQTAYFARWQPELVGEYRTRLGKWLAAG 3N4U Chain:A ((3-283)) ----------TYTFDQVEKAIEQLYPDFTINTIEISGEGNDCIAYEI---NRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVL--DFR--EKINEDNKKI-KKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHKDIP--TVLEKYRMKEKYWSFEKIIYGKEYG------------------

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 : 1196 -33772 -28.24 -123.71 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -28.24 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.343

(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: