Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDIESILKNIIKIEPITTGKSNDKKYLLVLKNGTLLFERVGPISR-YDRFKMMYDELIDLKSLNE-PGVPIPYFV-TKE---D-DTAVLLTSYSKGIPLNEVI-TDKNCSLDRVKELGRKAGNLLASVHTLSPLVP-TD--SGDYDVLFKNILSDYV---NLSLYLKHEQDMISFVLNHMK-EVMTARPITYIHGNFDERILWVSP--TDRIFFVDTCDISSFDPFYDFKNIGVITRFENIEFAKSIIDSYTQGHPTDEFWLAFELYNAFKLMSTTIELIKEGKEKEAIDKFETVADDFHGFKEDEIGKPKWY 3N4U Chain:A ((21-284)) --------TINTIEISGEG-NDCIAYEI----NRDFIFKFPKHSRGSTNLFNEVNILKRIH---NKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNL--PKQSQNQAAKDLARFLSELHSINI-SGFKSNLVLDFREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHKDIP-TVLEKYRMKEKYWSFEKIIYGKEYGY-----------------------------

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 : 1070 18097 16.91 73.27 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 16.91 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.365

(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: