Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSRYERQEKIGEGTYGVVYKARDTSTAATVALKRIRLDSEEEGVPCTAIREISLLKELRHENIVKLLDVCHSEHRLTIVFEYLDLDLKKYLDRENGNLDAATVQHFMRDLLRGVAFCHQRSVLHRDLKPQNLLISREKELKLGDFGLGRSFAIPVRKFTNEVVTLWYRPPDVLLGSMQYGPPVDVWSVGCIFSEMATGTPLFAGKNDADQLMRIFRFLGTPNNRVWPSMNQYPNSNNMLSQPEFLQNFEPE-WSNVLGSVPGYEKLGCAGVDLLEKLLRYEPSERITAADALNHPYFSLQF 3NIZ Chain:A ((19-304)) LMEKYQKLEKVGEGTYGVVYKAKD-SQGRIVALKRIR------GIPSTAIREISLLKELHHPNIVSLIDVIHSERCLTLVFEFMEKDLKKVLDENKTGLQDSQIKIYLYQLLRGVAHCHQHRILHRDLKPQNLLINSDGALKLADFGLARAFGIPVR---HEVVTLWYRAPDVLMGSKKYSTSVDIWSIGCIFAEMITGKPLFPGVTDDDQLPKIFSILGTPNPREWPQVQELP-----LWKQRTFQVFEKKPWSSI---IPGFCQ---EGIDLLSNMLCFDPNKRISARDAMNHPYF----

General information: TITO was launched using: RESULT: Template: 3NIZ.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 : 1351 -133002 -98.45 -481.89 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -98.45 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.498

(partial model without unconserved sides chains): PDB file : Tito_3NIZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NIZ-query.scw PDB file : Tito_Scwrl_3NIZ.pdb: