Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAANPPRPSRSLQGKVAIVTGAGSRGETIGNGRAIALLLAEDGAKV-VCVDREEALAQRTAELVLAENEGASALAVAADVSSAEECARVVDAALRLFGRVDVLVNGVGVLGPPGTAVDVDAARWARGLEVNVTSMMLMAKYAVPAMRDNEPEAGVRGSIVNLGSVAGLRGGTPSLLYPTSKCAVVNMTRAMAAHHAKDGVRVNCVCPGMLYTPMVYDAEGGMSAEVREARRRRSLLQTEGNAWDCAGPVRFLAGGEARWITGTVLTVDAGATCALAVSMPDGE 3QRW Chain:A ((25-214)) -------------DSEVALVTGA-----TSGIGLEIARRLGKEGLRVFVCARGEEGLRTTLKEL---REAGVEADGRTCDVRSVPEIEALVAAVVERYGPVDVLVNNAGRLGGGATAELADEL-WLDVVETNLTGVFRVTKQVLKA--GGMLERGT-GRIVNIASTGGKQGVVHAAPYSASKHGVVGFTKALGLELARTGITVNAVCPGFVETPM---------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3QRW.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 : 1016 -44492 -43.79 -235.40 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -43.79 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.357

(partial model without unconserved sides chains): PDB file : Tito_3QRW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3qrw-query.scw PDB file : Tito_Scwrl_3QRW.pdb: