Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGWIIMKLLHLQYFKKVFETKNVTQAAKELFISQPALSRAIKHLENELGVPLFYHSGRNIETTVYAEEFYPYAVKTLDTLEEGIKLLSSVNEKIVTSVILYLEVASVSIPNLVRIFMEKHPDIQLTIMQHHLPDDITDPVLYITSEMKPGMTNIPIMKEPVYVAIPKKHPLAKKEHLQLEDIQRTPILMLSKSNAFRHTLDAALEAKSIELTISSTTDDPATLRSIVKQGLAVSFFPKVSWSYDKNDPFVLREIKDLPLTRTIYLSSSFTEDHPLIKMIAKTMREFYLGK 3FXR Chain:A ((1-69)) ----MLKLQTLQALICIEEVGSLRAAAQLLHLSQPALSAAIQQLEDELKAPLLVRTKRGVSLTSFGQAFMKHA-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3FXR.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 : 247 -49038 -198.53 -710.70 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -198.53 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.763

(partial model without unconserved sides chains): PDB file : Tito_3FXR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3FXR-query.scw PDB file : Tito_Scwrl_3FXR.pdb: