Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDRNIDQELVSIIIPTHNRYESLIRAVKSCLHQSYKNIEVIIIDDNYSNVNLRNKIIHQFGYTNHRIKLILSNEDLGATNARNIGIKNSRGKYISFLDDDDE----YMPDRILKL------MACFKKSRMKNLALVYSYGIIIYPNGTREEEKTDFVGNPLFVQMVHNIAGTSFWLCKKEVLELINGFEKIDSHQDGVVLLKLLAQGYQIDIVREFLVNYYAHSKENGITGVTQKTINADEEYYNYCRKYFNLLSFNERILVTKKYYSLNIKRLLLIGDKCKALKVIKKAREEKIFNEFLFLKYMLLYNFSFFYCIYDNYVQLKFRK 5HEA Chain:A ((4-295)) ------GELISIIVPVYNVEKYLKRCLDSLLRQTYKNFEIILINDG--STDNSSIICEEYAKIDNRIQILHQT-NAGPSAARNAGITYASGKYITFVDSDDFVEEFYLEHLYRALVDNGSDISVCNFNSFNEDRQSFLFSITKEKYFCKNYTIAEWMDLNLFLTFTFSPT----KLFKAELFEGIR-FPLGRLREDDATIYRLYLKASQITFINEGSYYYSQRDDISSMISNAEERIALLASMGY--DLTEQIKSYKGRLKKCCEDALRN-GQIELYQQCCNKLDLIENYPKE----------------------------------

General information: TITO was launched using: RESULT: Template: 5HEA.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 : 1368 -53158 -38.86 -199.84 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -38.86 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.273

(partial model without unconserved sides chains): PDB file : Tito_5HEA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HEA-query.scw PDB file : Tito_Scwrl_5HEA.pdb: