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 1JJC Chain:A ((85-346)) ---------------------------------------------------------------------------------------------RVDVSLPGASLFSGGLHPITLMERELVEIFRALGYQAVEGPEVESEFFNFDALNIPEHHPARDMWDTFWLTGEGFRLEGPLGEEVEGRLLLRTHTSPMQVRYMVAHTPPFRIVVPGRVFRFEQTDATHEAVFHQLEGLVVGEGIAMAHLKGAIYELAQALFGPDSKVRFQPVYFPFVEPGAQFAVWWPEGGKWLELGGAGMVHPKVFQA--VDAYRERLGLPPAYRGVTGFAFGLGVERLAMLRYGIPDIRYFFGGRLKFLEQF-

General information: TITO was launched using: RESULT: Template: 1JJC.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 : 1120 -61918 -55.28 -264.60 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -55.28 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.470

(partial model without unconserved sides chains): PDB file : Tito_1JJC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1JJC-query.scw PDB file : Tito_Scwrl_1JJC.pdb: