Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAANPPRPSRSLQGKVAIVTGAGSRGETIGNGRAIALLLAEDGAKVVCVDREEALAQRTAELVLAENEGASALAVAADVSSAEECARVVDAALRLFGRVDVLVNGVGVLGPPGTAVDVDAARWARGLEVNVTSMMLMAKYAVPAMRDNEPEAGVRGSIVNLGSVA---GLRGGTPSLLYPTSKCAVVNMTRAMAAHHAKDGVRVNCVCPGMLYTPMVYDAEGGMSAEVREARRRRSLLQTEGNAWDCAGPVRFLAGGEARWITGTVLTVDAGATCALAVSMPDGE 4URE Chain:B ((3-244)) ------------LEGKTALVTGAGN-----GIGRTIALTYAAEGANVVVSDISDEWGRET--LALIEGKGGKAVFQHADTAHPEDHDELIAAAKRAFGRLDIACNNAGISGEFTPTAETTDAQWQRVIGINLSGVFYGVRAQIRAMLETGG-----GAIVNISSIAGQIGIEGITP---YTAAKHGVVGLTKTVAWEYGSKGIRINSVGPAFINTTLVQNVPLETRRQLEQMHALRRLGETE----EVANLVAWLSSDKASFVTGSYYAVDGG-------------

General information: TITO was launched using: RESULT: Template: 4URE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1367 -101383 -74.16 -424.19 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -74.16 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.395

(partial model without unconserved sides chains): PDB file : Tito_4URE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ure-query.scw PDB file : Tito_Scwrl_4URE.pdb: