Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKERMYMKVKKAVIPAAGLGTRFLPATKAMAKEMLPIVDKPTIQFIVEEALKSGIEDILIVTGKAKRPIEDHFDSNIELETNLSEKGKTELLKLVEETT--DVNLHFIRQSHPKGLGHAVLQARAFIGNEPFVVMLGDDIMEDEVPLTQQLIDDYERTHASTIAVMQVPHDETSKYGIINPGEVLEDG-LYNVKNFVEKPDPSKAPSDLAIIGRYLLTPEIFDVLSEQQPGAGNEIQLTDAIDTLNKTQRVFARKFTGKRYDVGDKFGFMKTSIEYGLTHPEVGAPLREYILSLGKTLEAEGSKIDHNPKGITEIKEEKKK 2UX8 Chain:F ((14-291)) --------LRKAVFPVAGLGTRFLPATKAMPKEMLPVVDRPLIQYAVDEAVEAGIEQMIFVTGRGKSALEDHFDIAYELEATMAARGKS--LDVLDGTRLKPGNIAYVRQQEPMGLGHAVWCARDIVGDEPFAVLLPDDFMFGQPGCLKQMVDAYNKVGGNLICAEEVPDDQTHRYGIITPGT--QDGVLTEVKGLVEKPAPGTAPSNLSVIGRYILQPEVMRILENQGK------QLTDAMQRMIGDQPFHGVTFQGTRYDCGDKAGFIQANLAVALSRPDLEPAVRAF-------------------------------

General information: TITO was launched using: RESULT: Template: 2UX8.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 1350 -19248 -14.26 -71.55 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain F : 0.83 3D Compatibility (PKB) : -14.26 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.462

(partial model without unconserved sides chains): PDB file : Tito_2UX8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2UX8-query.scw PDB file : Tito_Scwrl_2UX8.pdb: