Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVTMSLEALTTEALAAIAAAQDLVALDQVRVQFTGKKSQLAEQSKALGKMDPEERKVQGAAIHAVRETINNALTERQTALQQAALAQKLASETIDITLPGRGQRVGTVHPVTQVQERICQFFTKAGFTVATGPEVEDDYHNFEALNIPGHHPARAMHDTFYF---------------DANHLLRTHTSGVQIRTMETSQPPIRIVCPGRVYRCD-SDQTHSPMFHQIEGLYVAENTSFAELKGLLINLLNEFFEKDLKVRFRPSYFPFTEPSAEVDI-MDERGRWLEVLGCGMVHPNVLRAA-------GIDPD--KYKGFAFGLGVERFAMLRYGINDLRMFYQNDVRFLRQFA 2AKW Chain:A ((2-262)) ----------------------------------------------------------------------------------------------VDVSLPGASLFSGGLHPITLMERELVEIFRALGYQAVEGPEVESEFFNFDALNIPEHHPARDMWDTFWLTGEGFRLEGPLGEEVEGRLLLRTHTSPMQVRYMVAHTPPFRIVVPGRVFRFEQTDATHEAVFHQLEGLVVGEGIAMAHLKGAIYELAQALFGPDSKVRFQPVYFPFVEPGAQFAVWWPEGGKWLELGGAGMVHPKVFQAVDAYRERLGLPPAYRGVTGFAFGLGVERLAMLRYGIPDIRYFFGGRLKFLEQF-

General information: TITO was launched using: RESULT: Template: 2AKW.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 : 1136 -52379 -46.11 -222.89 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -46.11 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.453

(partial model without unconserved sides chains): PDB file : Tito_2AKW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2AKW-query.scw PDB file : Tito_Scwrl_2AKW.pdb: