Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVTMSLEALTTEALAAIAAAQDLVALDQVRVQFTGKKSQLAEQSKALGKMDPEERKVQGAAIHAVRETINNALTERQTALQQAALAQKLASETIDITLPGRGQRVGTVHPVTQVQERICQFFTKAGFTVATGPEVEDDYHNFEALNIPGHHPARAMHDTFYF---------------DANHLLRTHTSGVQIRTMETSQPPIRIVCPGRVYRCD-SDQTHSPMFHQIEGLYVAENTSFAELKGLLINLLNEFFEKDLKVRFRPSYFPFTEPSAEVDI-MDERGRWLEVLGCGMVHPNVLRAAGID--------PDKYK---GFAFGLGVERFAMLRYGINDLRMFYQNDVRFLRQFA 1PYS Chain:A ((85-346)) ---------------------------------------------------------------------------------------------RVDVSLPGASLFSGGLHPITLMERELVEIFRALGYQAVEGPEVESEFFNFDALNIPEHHPARDMWDTFWLTGEGFRLEGPLGEEVEGRLLLRTHTSPMQVRYMVAHTPPFRIVVPGRVFRFEQTDATHEAVFHQLEGLVVGEGIAMAHLKGAIYELAQALFGPDSKVRFQPVYFPFVEPGAQFAVWWPEGGKWLELGGAGMVHPKVFQA--VDAYRERLGLPPAYRGVTGFAFGLGVERLAMLRYGIPDIRYFFGGRLKFLEQF-

General information: TITO was launched using: RESULT: Template: 1PYS.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 : 1085 -61215 -56.42 -261.60 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -56.42 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.493

(partial model without unconserved sides chains): PDB file : Tito_1PYS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1PYS-query.scw PDB file : Tito_Scwrl_1PYS.pdb: