Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYGGKSAEHNVSLQTALAVIKALNTEKFDIHPIYITEKGEWVRGARLTEPVSNVKMLQFEQGGSAFSPAALNQEMFPQEASQQNEAIDVVFPLLHGPNGEDGTIQGMLELLNIPYVGNGVLASSAGMDKVVMKHLFAQVGLAQAKYAAFLKKDWTRSPKESCEEVEQELGYPCFVKPANLGSSVGISKCRNREELQKAFELAFQYDRKVVVEEGING-REIEIGVLGNDDPKCSVVGEIAPKTDFYDYKAKYEDGDTDLMIPAIVTDEEYATISDMAIKAFKAIDGSGLVRADFFLTADGEVLINEVNTMPGFTPFSMFPLLWKEAGVEYADLIEQLVELAKERHAEKQLIKHTF 2ZDG Chain:B ((8-317)) --GGVSPEHEVSLLSAEGVLRHI---PFPTDLAVIAQDGRWLLG---------------EKALTALEAKAAPEGEHPFPPPLSWERYDVVFPLLHGRFGEDGTVQGFLELLGKPYVGAGVAASALCMDKDLSKRVLAQAGVPVVPWVAVRK----------GEPPVVPFDPPFFVKPANTGSSVGISRVERFQDLEAALALAFRYDEKAVVEKALSPVRELEVGVLGNVFGEASPVGEVRYEA--------------ELLIPAPLD--TQETVQELALKAYKVLGVRGMARVDFFL-AEGELYLNELNTIPGFTPTSMYPRLFEAGGVAYPELLRRLVELA--------------

General information: TITO was launched using: RESULT: Template: 2ZDG.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1595 -154925 -97.13 -528.75 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -97.13 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.478

(partial model without unconserved sides chains): PDB file : Tito_2ZDG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ZDG-query.scw PDB file : Tito_Scwrl_2ZDG.pdb: