Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANEETVGLRIIEEAFKLPMVKVDRRAFLIQTFQGKVSDIEGLIEKGPQAFLSKEMLDREAQKCIQSITLKSSAVSLATGLPGGIAMAATIPADLLQFFGYSLRLAQEISYIYGFKDLMGENGELSEEAKNTLILYLGIMLGVTSAGSAVRAMSGKLSTQALKKIPQKALTQTLYYPVIKRVLGIFGTKLTKNTFAKGISKAVPVVGGVVSGGINYLSMKPMATKLQTELGKNVAYTEESLQQDLDILEGEFEEVSSDIASSDTVLSQLERLSHLLETNMITEEEFQQLKQELLKK 2ZYD Chain:A ((303-430)) --------------------------------------------------------------------SLKDQRVAASKVLSGPQAQPAGDKAEFIEKVRRALYLGKIVSYAQGFSQLRAASEEYNWD------LNYGEIAKIFRAGCIIRAQFLQKITDACAENPQ--IANLLLAPYFKQIADDYQQAL-RDVVAYAVQNGIPV-------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2ZYD.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 : 343 -45198 -131.77 -353.11 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -131.77 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.304

(partial model without unconserved sides chains): PDB file : Tito_2ZYD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ZYD-query.scw PDB file : Tito_Scwrl_2ZYD.pdb: