Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAANPPRPSR--SLQGKVAIVTGAGSRGETIGNGRAIALLLAEDGAKV-VCVDREEALAQRTAELVLAENEGASALAVAADVSSAEECARVVDAALRLFGRVDVLVNGVGVLGPPGTAVDVDAARWARGLEVNVTSMMLMAKYAVPAMRDNEPEAGVRGSIVNLGSVAGLRGGTPSLLYPTSKCAVVNMTRAMAAHHAKDGVRVNCVCPGMLYTPMVYDAEGGMSAEVREARRRRSLLQTEGNAWDCAGPVRFLAGGEARWITGTVLTVDAGATCALAVSMPDGE 4DC1 Chain:B ((21-214)) -----------MATQDSEVALVTGA-----TSGIGLEIARRLGKEGLRVFVCARGEEGLRTTLKEL---REAGVEADGRTCDVRSVPEIEALVAAVVERYGPVDVLVNNAGRPGGGATAELADEL-WLDVVETNLTGVFRVTKQVLKA--GGMLERGT-GRIVNIASTGGKQGVVHAAPYSASKHGVVGFTKALGLELARTGITVNAVCPGFVETPM---------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4DC1.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 : 1014 -18121 -17.87 -94.87 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : -17.87 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.365

(partial model without unconserved sides chains): PDB file : Tito_4DC1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4dc1-query.scw PDB file : Tito_Scwrl_4DC1.pdb: