Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKKVRKAVIPAAGLGTRFLPATKAQPKEMLPIVDKPAIQYIVEEAAESGIEDILIITGRNKRSIEDHFDRSAELEFNLREKGKTETLKEMQQIADLANIHYIRQKEPLGLGHAVLCAEHFIGDEPFAVLLGDDIMVSETPALRQLMDVYDVYGTEVVGVQSVLPEDVSKYGIINTSGSQGHVYEVNDLVEKPSPEEAPSEIAVMGRYVLNSSIFSVLKTIGRGAGNEIQLTDALREVCRKEPIHARLLEGNRYDIGDKLGCFKASTEIGLMRPEMRSQLLAYLEDVIKRETKEMLR 2UX8 Chain:H ((12-291)) --KPLRKAVFPVAGLGTRFLPATKAMPKEMLPVVDRPLIQYAVDEAVEAGIEQMIFVTGRGKSALEDHFDIAYELEATMAARGKSLDVLDGTRLKP-GNIAYVRQQEPMGLGHAVWCARDIVGDEPFAVLLPDDFMFGQPGCLKQMVDAYNKVGGNLICAE---------------------LTEVKGL--------------VIGRYILQPEVMRILEN---------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 H - contact count / total energy / energy per contact / energy per residue : 1150 -152215 -132.36 -644.98 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain H : 0.82 3D Compatibility (PKB) : -132.36 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.500

(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: