Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANEETVGLRIIEEAFKLPMVKVDRRAFLIQTFQGKVSDIEGLIEKGPQAFLSKEMLDREAQKCIQSITLKSSAVSLATGLPGGIAMAATIPADLLQFFGYSLRLAQEISYIYGFKDLMGENGELSEEAKNTLILYLGIMLGVTSAGSAVRAMSGKLSTQALKKIPQKALTQTLYYPVIKRVLGIFGTKLTKNTFAKGISKAVPVVGGVVSGGINYLSMKPMATKLQTELGKNVAYTEESLQQDLDILEGEFEEVSSDIASSDTVLSQLERLSHLLETNMITEEEFQQLKQELLKK 2ZYG Chain:A ((291-418)) --------------------------------------------------------------------SLKDQRVAASKVLSGPQAQPAGDKAEFIEKVRRALYLGKIVSYAQGFSQLRAASDEYNWD------LNYGEIAKIFRAGCIIRAQFLQKITDAYAQ--NAGIANLLLAPYFKQIADDYQQAL-RDVVAYAVQNGIPV-------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2ZYG.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 : 345 -41846 -121.29 -326.92 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -121.29 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.276

(partial model without unconserved sides chains): PDB file : Tito_2ZYG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ZYG-query.scw PDB file : Tito_Scwrl_2ZYG.pdb: