Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYGGKSAEHNVSLQTALAVIKALNTEKFDIHPIYITEKGEWVRGARLTEPVSNVKMLQFEQGGSAFSPAALNQEMFPQEASQQNEAIDVVFPLLHGPNGEDGTIQGMLELLNIPYVGNGVLASSAGMDKVVMKHLFAQVGLAQAKYAAFLKKDWTRSPKESCEEVEQELGYPCFVKPANLGSSVGISKCRNREELQKAFELAFQYDRKVVVEEGING-REIEIGVLGNDDPKCSVVGEIAPKTDFYDYKAKYEDGDTDLMIPAIVTDEEYATISDMAIKAFKAIDGSGLVRADFFLTADGEVLINEVNTMPGFTPFSMFPLLWKEAGVEYADLIEQLVELAKERHAEKQLIKHTF 2ZDH Chain:A ((8-317)) --GGVSPEHEVSLLSAEGVLRHI---PFPTDLAVIAQDGRWLLG---------------EKALTALEAKAAPEGEHPFPPPLSWERYDVVFPLLHGRFGEDGTVQGFLELLGKPYVGAGVAASALCMDKDLSKRVLAQAGVPVVPWVAVRK----------GEPPVVPFDPPFFVKPANTGSSVGISRVERFQDLEAALALAFRYDEKAVVEKALSPVRELEVGVLGNVFGEASPVGEVRYEAPFYDYETKYTPGRAELLIPAPLDPGTQETVQELALKAYKVLGVRGMARVDFFL-AEGELYLNELNTIPGFTPTSMYPRLFEAGGVAYPELLRRLVELA--------------

General information: TITO was launched using: RESULT: Template: 2ZDH.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 : 1738 -141038 -81.15 -456.43 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -81.15 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.513

(partial model without unconserved sides chains): PDB file : Tito_2ZDH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ZDH-query.scw PDB file : Tito_Scwrl_2ZDH.pdb: