Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKMSLFQNMKSKLLPIAAVSVLTAGIFAGAELQQTEKASAKKQDKAEIRNVIVMIGDGMGTPYIRAYRS--------MKNNGDTPNNPKLTEFDRNL-TGMMMTHPDDPDYNITDSAAAGTALATGVKTYNNAIGVDKNGKKVKSVLEEAKQQGKSTGLVATSEINHATPAAYGAHNESRKNMDQIANS------YMDDKIKGK-------HKIDVLLGGGKSYFNR-------KDRNLTKEFKQAGYSYVTTKQAL----KKNKDQQVLGLFADGGLA------KAL----------------DRDSKTPSLKDMTVSAIDRLNQNKKGFFLMVEGSQIDWAAHDNDTVGAMSEVKDFEQAYKAAIEFAKKDKHTLVIATADHTTGGFTIGANGEKNWHAEPILSAKKTPEFMAKKISEGKPVKD---VLARYANLKVTSEEIKSVEAAAQADKSKGASKAIIKIFNTRSNSGWTSTDHTGEEVPVYAYGPGKEKFRGLINNTDQANIIFKILKTGK 3BDH Chain:B ((44-438)) -------------------------------------------------KNIILLIGDGMGDSEITAARNYAEGAGGFFKGIDALPLTGQYTHYALNKKTG-------KPDY-VTDSAASATAWSTGVKTYNGALGVDIHEKDHPTILEMAKAAGLATGNVSTAELQDATPAALVAHVTSRKCYGPSATSEKCPGNALEKGGKGSITEQLLNARADVTLGGGAKTFAETATAGEWQGKTLREQAQARGYQLVSDAASLNSVTEANQQKPLLGLFADGNMPVRWLGPKATYHGNIDKPAVTCTPNPQRNDSVPTLAQMTDKAIELLSKNEKGFFLQVEGASIDKQDHAANPCGQIGETVDLDEAVQRALEFAKKEGNTLVIVTADHA--------------HASQIVA----PDTKAPGLTQALNTKDGAVMVMSYGN----SEE--------------------------------DSQEHTGSQLRIAAYGPHAANVVGLTDQTD-------------

General information: TITO was launched using: RESULT: Template: 3BDH.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 : 2101 -25831 -12.29 -76.65 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -12.29 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.432

(partial model without unconserved sides chains): PDB file : Tito_3BDH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BDH-query.scw PDB file : Tito_Scwrl_3BDH.pdb: