Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPTLFEGETPVDLDTVGSFVAQQCPQWGHLPLRAMTTSGTEHTTYRLGDELLVRVPRDASSEAGLRKEIDWLPRLRDGVDLEMPVIEHVGAPSLDYPHTWTINRWVSGEDASARV---LAGDVPSSWADVLAELVASLRAVDLREFAPHELPQGQRGGHVRCRVEALHGQTDPMSGPLDPTPVMGLMEAALDA-GAPAPEPVLLHGDLIPGNLVVRN--GRLSGLLDFGTLTTGYAAWDLTPAWWV---LDRSGRERFRELLE--VDDVSWAWGRAFAASQGLLADWVYAPR-GHALAPLGARAVAEALAD 3N4U Chain:A ((3-299)) ---------TYTFDQVEKAIEQLYPDFTINTIEISG-EGNDCIAYEINRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISG-FKSNL-VLDFREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHKDIPTVLEKYRMKEKYWSFEKIIYGKEYGYMDWYEEGLNEIRSIK--

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 : 1239 -48735 -39.33 -171.00 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -39.33 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.415

(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: