Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDNKYHLVGQIDLENLNKIIIPVTKNVFNS-RISEIKRFPTGSCHFVYDAVLESWENLVFRIGYSDSNKAKIGWSVFWHGKLKE-LGIKIPALLYHDVSCIEYGKPFTVSERIRWDDIWNAI-DSLTDENLDLIAKEIAGIQNRISTLEPWRWFWEMTSYDDANLKGKWREFVLEKFEKAKMALSEGGIFDDSYIERVREALDRNSWYL--ENVKGTMFFDDITSKNIIVDN--SEFSWVVDFDTMTCWDRLYWLGLCNMA--FIYLE-REIYISYLIRYLGCSEDDISAMNLYTLLFCLDFMSEIGQKFNKEEAIIDYIKAERYKSIFERICNNIK 3N4U Chain:A ((4-280)) --------------YTFDQVEKAIEQLYPDFTINTIEISGEGNDCIAYEI----NRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSI-NISGFKSNL-------VLDFREKINEDNKKIKKLLSRE--LKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHKDIPT--VLEKYRMKEKYWSFEKIIYGK------------------------------

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 : 1173 -26311 -22.43 -98.54 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -22.43 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.327

(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: