Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTIVFKCGGSVIRE--LSEEFYQNLKELRASGWKLAIVHGGGPEITNMLKRLNIKTEFSGGQRKTTKPVLEVAEMVLSGSVNKFFVAELAKHGLRAAGISGKDGGLLEADYLDPET----YGEVGEIKKVDASMVNALMENGIIPVIAPLSMTSDCKTLNVNADLAASAVAGALEADKLMFVTDVDGIMKEKQRLDVLTPKEIQMLIKQEVITGGMIPKVNSALSALSDQVSEVMIVNGKGSFFAEQTFQGTKIVKAKEAVS 2BTY Chain:B ((22-257)) --KTFVIKFGGSAMKQENAKKAFIQDIILLKYTGIKPIIVHGGGPAISQMMKDLGIEPVFKNGHRVTDEKTMEIVEMVLVGKINKEIVMNLNLHGGRAVGICGKDSKLIVAE---KETKHGDIGYVGKVKKVNPEILHALIENDYIPVIAPVGIGEDGHSYNINADTAAAEIAKSLMAEKLILLTDVDGVLKDGKLISTLTPDEAEELIRDGTVTGGMIPKVECAVSAVRGGVGAVHIING-----------------------

General information: TITO was launched using: RESULT: Template: 2BTY.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1193 -152791 -128.07 -664.31 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -128.07 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.580

(partial model without unconserved sides chains): PDB file : Tito_2BTY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BTY-query.scw PDB file : Tito_Scwrl_2BTY.pdb: