Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAANPPRPSR--SLQGKVAIVTGAGSRGETIGNGRAIALLLAEDGAKV-VCVDREEALAQRTAELVLAENEGASALAVAADVSSAEECARVVDAALRLFGRVDVLVNGVGVLGPPGTAVDVDAARWARGLEVNVTSMMLMAKYAVPAMRDNEPEAGVRGSIVNLGSVAGLRGGTPSLLYPTSKCAVVNMTRAMAAHHAKDGVRVNCVCPGMLYTPMVYDAEGGMSAEVREARRRRSLLQTEGNAWDCAGPVRFLAGGEARWITGTVLTVDAGATCALAVSMPDGE 4DBZ Chain:B ((21-214)) -----------MATQDSEVALVTGA-----TSGIGLEIARRLGKEGLRVFVCARGEEGLRTTLKEL---REAGVEADGRTCDVRSVPEIEALVAAVVERYGPVDVLVNNAGRPGGGATAELADEL-WLDVVETNLTGVFRVTKQVLKA--GGMLERGT-GRIVNIASTGGKQGLVHAAPYSASKHGVVGFTKALGLELARTGITVNAVCPGFVETPM---------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4DBZ.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 : 1020 -18908 -18.54 -98.99 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : -18.54 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.348

(partial model without unconserved sides chains): PDB file : Tito_4DBZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4dbz-query.scw PDB file : Tito_Scwrl_4DBZ.pdb: