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 4YR1 Chain:B ((35-429)) -------------------------------------------------KNIILLIGDGMGDSEITAARNYAEGAGGFFKGIDALPLTGQYTHYALNKKTG-------KPDY-VTASAASATAWSTGVKTYNGALGVDIHEKDHPTILEMAKAAGLATGNVSTAELQAATPAALVAHVTSRKCYGPSATSEKCPGNALEKGGKGSITEQLLNARADVTLGGGAKTFAETATAGEWQGKTLREQAQARGYQLVSDAASLNSVTEANQQKPLLGLFADGNMPVRWLGPKATYHGNIDKPAVTCTPNPQRNDSVPTLAQMTDKAIELLSKNEKGFFLQVEGASIDKQDHAANPCGQIGETVDLDEAVQRALEFAKKEGNTLVIVTADHA--------------HASQIVA----PDTKAPGLTQALNTKDGAVMVMSYGN----SEE--------------------------------DSQEHTGSQLRIAAYGPHAANVVGLTDQTD-------------

General information: TITO was launched using: RESULT: Template: 4YR1.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 : 2130 -23415 -10.99 -69.48 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -10.99 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.387

(partial model without unconserved sides chains): PDB file : Tito_4YR1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YR1-query.scw PDB file : Tito_Scwrl_4YR1.pdb: