Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLLSKKSEYKTLSTVEHPQYIVFCDFDETYFPHTIDEQKQQDIYELEDYLEQKSKDGELIIGWVTGSSIESILDKMGRGKFRYFPHFIASDLGTEITYFSEHNFGQQDNKWNSRINEGFSKEKVEKLVKQLHENHNILLNPQTQLGKSRYKHNFYYQEQ--DEINDKKNLLAIEKICEEYGVSVNINRCNPLAGDPEDSYDVDFIPIGTGKNEIVTFMLEKYNLNTERAIAFGDSGNDVRMLQTVGNGYLLKNATQEAKNLHNLITDSEYSKGITNTLKKLIGS 1U2T Chain:A ((3-225)) ------------------QLLLISDLDNTWV------GDQQALEHLQEYL--GDRRGNFYLAYATGRSYHSA-RELQKQVGLMEPDYWLTAVGSEI-YHPE----GLDQHWADYLSEHWQRDILQAIADGFEA-----LKPQSPLEQNPWKISYHLDPQACPTVIDQ-----LTEMLKETGIPVQVIFSS--------GKDVDLLPQRSNKGNATQYLQQHLAMEPSQTLVCGDSGNDIGLFETSARGVIVRNAQPELLHWYDQWGDSRHYRA-----------

General information: TITO was launched using: RESULT: Template: 1U2T.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 : 1143 -68951 -60.32 -311.99 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -60.32 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.457

(partial model without unconserved sides chains): PDB file : Tito_1U2T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1U2T-query.scw PDB file : Tito_Scwrl_1U2T.pdb: