Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYGGKSAEHNVSLQTALAVIKALNTEKFDIHPIYITEKGEWVRGARLTEPVSNVK--------MLQFEQGGSAFSPAALNQEMFPQEASQQNEAIDVVFPLLHGPNGEDGTIQGMLELLNIPYVGNGVLASSAGMDKVVMKHLFAQVGLAQAKYAAFLKKDWTRSPKESCEEVEQELGYPCFVKPANLGSSVGISKCRNREELQKAFELAFQYDRKVVVEEGINGREIEIGVLGNDDPKCSVVGEIAPKTDFYDYKAKYEDGDTDLMIPAIVTDEEYATISDMAIKAFKAIDGSGLVRADFFLTADGEVLINEVNTMPGFTPFSMFPLLWKEAGVEYADLIEQLVELAKERHAEKQLIKHTF 3R5F Chain:A ((26-378)) IFGGKSAEHEVSLQSARNILDALDPQRFEPVLIGIDKQGQW----HVNDPDSFLLHADDPARIALHRSGRGVALLPGAQQQQLRPIQ---ALAQIDVVFPIVHGTLGEDGSLQGLLRMANLPFVGSGVLGSAVAMDKDMAKRVLRDARLAVAPFVCF---DRHTAAHADVDTLIAQLGLPLFVKPANQGSSVGVSQVRTADAFAAALALALAYDHKVLVEAAVAGREIECAVLGNAVPHASVCGEVVV----------------EIVIPADIDAQTQQRIQQIAVQAYQALGCAGMARVDVFLCADGRIVINEVNTLPGFTRISVYPKLWQASGLDYRGLITRLIELALERHTDDQLLR---

General information: TITO was launched using: RESULT: Template: 3R5F.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 : 1768 -186586 -105.53 -574.11 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -105.53 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.517

(partial model without unconserved sides chains): PDB file : Tito_3R5F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3R5F-query.scw PDB file : Tito_Scwrl_3R5F.pdb: