Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQSHFDMPEATQAVFNFFFPNGLFYQDSKGGVWEEGIIVVIELQAIDSNGDPVGSIITINQEIRANNKSQLGRTIYIDLPTAGSFRFRLSRTTATQAGKTQDTCKIKSVYGMADSSISDYGNVTVLRSRTVATDGALSIKE--RKLNCLVNRKLPLDGTGPLQ--VTRSAGQALINLALDEHIGRRTS-----AEVDIAQINAEIAKVKAYFGSDLMSEFNYTI-DDDNLSFEEIAGMVASSAFCEPYRFGSLTRFKFEGLQENAVLLFKHRNKVPLTEKRSYTFGVQKDYDGVELEYTSDVDDARVKYIIPEDITPKNPLKITTTGIRNEAQAKVRAWREWNKLRYKYMSCEVEVLDESELLIRNDRILVANNTVVDTQDGEVEAVDGLIIQTSQECTFDVGS--DYFIHLQISNATVDVVSCTAGVDKYHVVLSRPPVQPLVVSEDRYVKTLYTLVRADQTEAQAFMLEELTPQTQMTNT-LKASNYDARFYERDHDFI 2CY7 Chain:A ((5-377)) --TLTYD---------TLRFAEFEDFPETSEPVWILGRKY---------------SIFTEKDEILSDVASRLWFTYRKNFPAIGG------------TGPTSDT-----------------GWGCMLRCGQMIFAQALVCRHLGRDWRWTQRKRQPDSYFSVLNAFIDRKDSYYSIHQIAQMGVGEGKSIGQWYGPNTVAQVLKKLAVF------DTWSSLAVHIAMDNTVVMEEIRRLCRTSVPCSPWRP--------------LVLLIPLRLGLT----------------DINEAYVETLKHC---FMMPQSL-------------------------------------------------------------------------GVIGGKPNSAHYFIGYVGEELIYLDPHTTQPAVEGCFIPDESFHC--QHPPCRMSIAELDPSIAVGFFCKTEDDFNDWCQQVKKLSLLPMFELVEQQPDVLNLSLDSSDVERL

General information: TITO was launched using: RESULT: Template: 2CY7.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 : 1747 -50679 -29.01 -158.37 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -29.01 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.200

(partial model without unconserved sides chains): PDB file : Tito_2CY7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2CY7-query.scw PDB file : Tito_Scwrl_2CY7.pdb: