Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAANPPRPSRSLQGKVAIVTGAGSRGETIGNGRAIALLLAEDGAKVVCVDREEALAQRTAELVLAENEGASALAVAADVSSAEECARVVDAALRLFGRVDVLVNGVGVLGPPGTAVDVDAARWARGLEVNVTSMMLMAKYAVPAMRDNEPEAGVRGSIVNLGSVAGLRGGTPSL-LYPTSKCAVVNMTRAMAAHHAKDGVRVNCVCPGMLYTPMVYDAEGGMSAEVREARRRRSLLQTEGNAWDCAGPVRFLAGGEARWITGTVLTVDAGATCALAVSMPDGE 5U2W Chain:C ((12-254)) ------------LQGKRALVTG-GSRGI----GAAIAKRLAADGADV-AITYEKSAERAQAVVAGIEALGRRAIAIQADSADPVAVRNAVDRVAEAFGGLDILVNNAGIF-RAGSLDDLTLDDIDATLNVNVRAVIVASQAAARHL-------GEGGRIVSTGSCLATRVPDAGMSLYAASKAALIGWTQGLARDLGPRGITVNIVHPGSTDTDM-NPADGAHA----DAQRSRMAIQQYGKADDVAALVAFVVGPEGRSINGTGLTIDGGANA----------

General information: TITO was launched using: RESULT: Template: 5U2W.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1415 -84937 -60.03 -350.98 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain C : 0.75 3D Compatibility (PKB) : -60.03 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.413

(partial model without unconserved sides chains): PDB file : Tito_5U2W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5u2w-query.scw PDB file : Tito_Scwrl_5U2W.pdb: