Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVTMSLEALTTEALAAIAAAQDLVALDQVRVQFTGKKSQLAEQSKALGKMDPEERKVQGAAIHAVRETINNALTERQTALQQAALAQKLASETIDITLPGRGQRVGTVHPVTQVQERICQFFTKAGFTVATGPEVEDDYHNFEALNIPGHHPARAMHDTFYFDANHLLRTHTSGVQIRTMETSQPPIRIVCPGRVYRCDSDQTHSPMFHQIEGLYVAENTSFAELKGLLINLLNEFFEKDLKVRFRPSYFPFTEPSAEVDI--------MDERGRWLEVLGCGMVHPNVLRAAGIDPDKYKGFAFGLGVERFAMLRYGINDLRMFYQNDVRFLRQFA 4P72 Chain:D ((87-337)) -----------------------------------------------------------------------------------------LAAERIDVTLPGRGQLSGGLHPVTRTLERIEQCFSRIGYEVAEGPEVEDDYHNFEALNIPGHHPARAMHDTFYFNANMLLRTHTSPVQVRTMESQQPPIRIVCPGRVYRCDSDLTHSPMFHQVEGLLVDEGVSFADLKGTIEEFLRAFFEKQLEVRFRPSFFPFTEPSAEVDIQCVICSGN-----GWLEVMGCGMVHPNVLRMSNIDPEKFQGFAFGMGAERLAMLRYGVNDLRLFFDNDLRFLGQF-

General information: TITO was launched using: RESULT: Template: 4P72.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1112 -81967 -73.71 -348.80 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain D : 0.82 3D Compatibility (PKB) : -73.71 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.520

(partial model without unconserved sides chains): PDB file : Tito_4P72.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4P72-query.scw PDB file : Tito_Scwrl_4P72.pdb: