Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIKFDNIQIKYGDFVAIDNLNLDIHEGEFFTFLGPSGCGKSTTLRALVGFLDPSSGSIEVNGTDVTHLEPEKRGIGIVFQSYALFPTMTVFDNIAFGLKVKKVAPDVIKAKVSAVAAKIKISDQQLQRNVSELSGGQQQRVALARALVLEPKILCLDEPLSNLDAKLRVDLRKELKRLQKELGITTLYVTHDQEEALTLSDRIAVFNNGYIEQVGTPVEIYHNSQTEFVCDFIGDI--NVLTDETVHEV-L---L--KN-------TSVFLE-DKKGYIRLEKVRFNRETKQDFILKGTIIDVEFSGVTIHYTIKVSESQILNVTSIDSQAAIRS-VGESVELFITPSDVLQF 2YYZ Chain:A ((3-350)) SIRVVNLKKYFGKVKAVDGVSFEVKDGEFVALLGPSGCGKTTTLLMLAGIYKPTSGEIYFDDVLVNDIPPKYREVGMVFQNYALYPHMTVFENIAFPLRARRISKDEVEKRVVEIARKLLIDNL-LDRKPTQLSGGQQQRVALARALVKQPKVLLFDEPLSNLDANLRMIMRAEIKHLQQELGITSVYVTHDQAEAMTMASRIAVFNQGKLVQYGTPDEVYDSPKNMFVASFIGNPPTNFLRDFSVSVENKQTILKRDDVIIKLPEPVDVKLKEVVVGIRPEHCRISRER-VENSIPGVVYVVEPLGRDIIVNVKTEKGEIIKV-FGD--TGKAPQPGENVFLVPDLRKIHLF

General information: TITO was launched using: RESULT: Template: 2YYZ.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 : 1591 -163954 -103.05 -495.33 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -103.05 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.519

(partial model without unconserved sides chains): PDB file : Tito_2YYZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YYZ-query.scw PDB file : Tito_Scwrl_2YYZ.pdb: