Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLFYKNILTLSILAAISIPVFAAENENVEKLETIRIKAHPLEQTSKDFAVADTVVDQKHLTEGAAT-IGDALNSEVGIYANQFGAGS--SRPVIRGQDGPRVKVLQNSSENVDVSTLSPDHAVTVDPV-LAKQVEVIRGPSTLLFGAGTVGGLVNVIDNKIPTQIPENGYEGQVGLRYNTGSDEKLASAGVTVGLGSQVALRIEGLTRDANNYIAPNYIHEGEKERRVDNTFAQGDSVNVGLSWVYDRGYTGISYSNRRDQYGLPGHSHEYETCH---IHDLS-LHCGDHDHEGHSDEEAHDHEHEHGGPWID---LKSERYDFKTELNDPFAGFQKLRAQASYTDYQHDE-IEEGTIATRFQNKGYDGRIELVHNPIADWEGVIGTQLGQQKLNLTGEEAFMAPTTTKKWS-VFALEHKQWKDVHFELSARADQQEIDVDDNSKQDFDGSAFSYAGAANWEFAPNYKLSFVASH--QERLPLAQELYANGGHFATNTYELGNDQLSKEKSNNVELGLHFDNDKLDYHLHVYHNWFDDYIYAQTLDRYKDFRLVQYTQDKARFYGAEGEIGYQITPMYKISAFGDYVRGKIDAEGNAPRIPAGRLGTKVDADFG--DGFSGSAEYYHVFNQDK-IAAYETET---EGYNMLNLGVAYSGQYGAKTDYRVYLKANNLLD---DTVYQHASFLSNIPQVGRNFTVGVDFSF 1NQG Chain:A ((6-594)) -------------------------------DTLVVTANRFEQPRSTVLAPTTVVTRQDIDRWQSTSVNDVLRRLPGVDITQNGGSGQLSSIFIRGTNASHVLVLIDGVR-LNLAGVSGSADLSQFPIALVQRVEYIRGPRSAVYGSDAIGGVVNII-----TTRDEPGTE-------------------ISAGWGSN----------SYQNYDVSTQQQLGDKTR-----------VTLLGDYAHTHGYDVVAYGNTGTQAQTDNDGFLSKTLYGALEHNFTDAWSGFVRGYGYDNRTNYDA---------DTRKLYSQSWDAGLRYNGELIKSQLITSYSHSKDYNYDPH---DSSATLDEMKQY--TVQWANNVIVG-HGSIGAGVDWQKQTTTPGTGYVEDGYDQRNTGIYLTGLQQVGDFTFEGAARSD-------DNSQF---GRHGTWQTSAGWEFIEGYR--FIASYGTSYKAPNLGQLY---GFY-------GNPNLDPEKSKQWEGAFEGLTAGVNWRISGYRNDVSDLI------DYDDHTLKYYNEGKARIKGVEATANFDTGPLTHTVSY-DYVDAR-NAITDTPLLRRAKQQVKYQLDWQLYDFDWGITYQYLGTRYDKDYSSYPYQTVKMGGVSLWDLAVAYP----VTSHLTVRGKIANLFDKDYETVYGYQT-------AGREYTLSGSYTF

General information: TITO was launched using: RESULT: Template: 1NQG.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 : 3358 107945 32.15 195.55 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 32.15 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.185

(partial model without unconserved sides chains): PDB file : Tito_1NQG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NQG-query.scw PDB file : Tito_Scwrl_1NQG.pdb: