Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLFYKNILTLSILAAISIPVFAAENENVEKLETIRIKAHPLEQTSKDFAVADTVVDQKHLTE-GAATIGDALNSEVGIYANQFGA-G-SSRPVIRGQDGPRVKVLQNSSENVDVSTLSPDHAVTVDPVLAKQVEVIRGPSTLLFGAGTVGGLVNVIDNKIPTQIPENGYEGQVGLRYNTGSDEKL-ASAGVTVGLGSQVALRIEGLTRDANNYIAPNYIHEGEKERRVDNTFAQGDSVNVGLSWVYD-RGYTGISYSNRRDQYGLPGHSHEYETCHIHDLSLHCGDHDHEGHSDEEAHDHEHEHGGPWIDLKSERYDFKTELNDPFAGFQKLRAQASYTDYQHDEIE--EG--TIA-TRFQNKGYDGRIELVHNPIADWEGVIGTQLGQQKLNLTGEEAFMAPTTTKKWSVFALEHKQWKDVHFELSARADQQEIDVDDNSKQDFDGSAFSYAGAANWEFAPNYKLSFVASHQERLPLAQELYANGGHFATNTYELGNDQLSKEKSNNVELGLHFDNDKLDYHLHVYHNWFDDYIYAQTLDRYKDFRLVQYTQDKARFYGAEGEIGYQITPMYKISAFGDYVRGKID-AEGNAPRIPAGRLGTKVDADFGDGFSGSAEYYHVFNQDKIAA-----YETETEGYNMLNLGVAYSGQYGAKTDYRVYLKANNLLDDTVYQHASFLSNIPQVGRNFTVGVDFSF 2GSK Chain:A ((1-590)) ------------------------------PDTLVVTANRFEQPRSTVLAPTTVVTRQDIDRWQSTSVNDVLRRLPGVDITQNGGSGQLSSIFIRGTNASHVLVLIDGVRLNLAGVSGSADLSQFPIALVQRVEYIRGPRSAVYGSDAIGGVVNIITTRDEP-----G--TEISAGWG--SNSYQNYDVSTQQQLGDKTRVTLLGDYAHTHGYDVVAYGNTG-TQAQTDNDGFLSKTLYGALEHNFTDAWSGFVRGYGYDNRTNYDAYYSPGSP---L-----------------------L--DTR--KLYSQSWDAGLRYNGELI---KSQLITSYSHSKDYNYDPHYGRYDSSATLDEMKQYTVQWANNV-IVGHGSIGAGVDWQKQTTTPGT-GYVEDGYDQRNTGIYLTGLQQVGDFTFEGAARSDDNSQ----------FGRHGTWQTSAGWEFIEGYRFIASYGTSYKAPNLGQLYGF----------YGNPNLDPEKSKQWEGAFEGLTAGVNWRISGYRNDVSDLIDYDDHT------LKYYNEGKARIKGVEATANFDTG-PLTHTVSYDYVDARNAITDTPLLRRAKQQVKYQLDWQL-YDFDWGITYQYLGTRYDKDYSSYPYQTVKMGGVSLWDLAVAYPVT----SHLTVRGKIANLFDKDYETVY----GYQTAGREYTLSGSYTF

General information: TITO was launched using: RESULT: Template: 2GSK.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 : 3419 118927 34.78 207.19 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 34.78 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.120

(partial model without unconserved sides chains): PDB file : Tito_2GSK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GSK-query.scw PDB file : Tito_Scwrl_2GSK.pdb: