Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAFTLYPAIDMRNGKCVRLVQGDYNKETIYGDSPYDMAELFEKEGAEWIHLVDLDGAKEGKRVNDRHVIEIAQKLNLKVEIGGGIRSENDVYEYLSAGVERVILGSSAVSNPPFVKKMLKQYGEKIAIGLDARNGFVSTEGWLETSTLKATELGKEL--ANE-GAEVFIFTDIATDGMLSGPNVKSTVELAKETGKSVIASGGVSSVADLEALARNEADGVSGAIIGKALYTNQFTLSEALERVKRK 4X2R Chain:A ((5-235)) ---LTLLPAVDVADGKAVRLLQGEAGSETDYG-SPIEAARDWVEAGAEWIHLVDLDAAF-GRGSNAPLLERIVGEVGIKVELSGGIRDDASLTRALKAGAARVNLGTAALEDPQWTARVIAEHGEKIAVGLDVRGTTLAAR---------GGDLWQTLDRLNEAGCRRYVVTDVTKDGTLTGPNTELLRQVAARTSAPVVASGGISSLEDIAALARLVPQGVDSAIVGKALYNGNFTLPQ--------

General information: TITO was launched using: RESULT: Template: 4X2R.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 : 1302 -66526 -51.10 -298.32 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -51.10 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.640

(partial model without unconserved sides chains): PDB file : Tito_4X2R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4X2R-query.scw PDB file : Tito_Scwrl_4X2R.pdb: