Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQMKDTILLAGLGLIGGSIALAIKKNHPG--KRIIGIDISDEQAVAALKLGVIDDRADSFISGVKEAATVIIATPVEQTLVMLEELAHS-GIEHELLITDVGSTKQKVVDYADQVLP-SRYQFVGGHPMAGSHKSGVAAAKEFLFENAFYILTPGQKTDKQAVEQLKNLLKGTNAHFVEMSPEEHDGVTSVISHFPHIVAASLVHQTHHSENLYPLVKRFAAGGFRDITRIASSSPAMWRDILLHNKDKILDRFDEWIREIDKIRTYVEQEDAENLFRYFKTAKDYRDGLPLRQKGAIPAFYDLYVDVPDHPGVISEITAILAAERISITNIRIIETREDINGILRISFQSDDDRKRAEQCIEARAEYETFYAD 3B1F Chain:A ((2-289)) AAMEEKTIYIAGLGLIGASLALGIKRD--HPHYKIVGYNRSDRSRDIALERGIVDEATADFKVFAALADVIILAVPIKKTIDFIKILADLDL-KEDVIITDAGSTKYEIVRAAEYYLKDKPVQFVGSHPMA----SGAVAANVNLFENAYYIFSPSCLTKPNTIPALQDLLSGLHARYVEIDAAEHDCVTSQISHFPHIIASSLMKQAGDFSESHEMTKHFAAGGFRDMTRIAESEPGMWTSILLTNQEAVLDRIENFKQRLDEVSNLIKARDENAIWAFFNQSRQIRKNM------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3B1F.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 : 1294 -7289 -5.63 -26.03 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -5.63 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_3B1F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3B1F-query.scw PDB file : Tito_Scwrl_3B1F.pdb: