Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------MSNWETKFTKKGFTFDDVLLIPAESHV-LPNEVDMSVQLAKN-IKLNIPIISASMDTVTDSKMAIAMARQGGLGVIHKNMTISQQADEVRKVKRSESGVIIDPFFLTPQHLVADAEELMSKYRISGVPIVETLENRKLVGIITNRDMRFVTDYHMPIADVMTKDNLVTAPVGTSLKDAEKILQKHKIEKLPIVDNEGRLSGLITIKDIEKVIEFPNAAKDEHGRLLVAAAVGVTSDTFERANALLEAGADAIIIDTAHGHSAGVIRKIQEIRSTFADATLIAGNVATAEATKALYDAGVDVVKVGIGPGSICTTRVVAGVGVPQLTAIYDAASVARQYGKA---IIADGGIKYSGDIVKALAAGGHAVMLGSMLAGTDESPGEFEIFQGRRFKTYRGMGSLGAMEKGSKDRYFQGSVNEANKLVPEGIEGRVAYKGSVADIIFQMIGGLRSGMGYVGAANLQQLRDEAQFIQMSGSGLKESHPHDVQITKEAPNYSVES 1B3O Chain:A ((10-498)) TSYVPDDGLTAQQLFNC-----GDGLTYNDFLILPGYID-FTADQVDLTSALTK-KITLKTPLVSSPMDTVTEAGMAIAMALTGGIGFIHHNCTPEFQANEVRKVKD-----------------------------------------------------------------------------------------------------------------------YPLASKDAKKQLLCGAAIGTHEDDKYRLDLLAQAGVDVVVLDSSQGNSIFQINMIKYIKDKYPNLQVIGGNVVTAAQAKNLIDAGVDALRVGMG-------------SRPQATAVYKVSEYARRF---GVPVIADGGIQNVGHIAKALALGASTVMMGSLLAATTEAPGE--------------------------------------------------DKGSIHKFVPYLIAGIQHSCQDIGAKSLTQVRAMMYS----------GELKFEKRTSSAQ------

General information: TITO was launched using: RESULT: Template: 1B3O.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 : 1668 -1706 -1.02 -5.97 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -1.02 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.551

(partial model without unconserved sides chains): PDB file : Tito_1B3O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1B3O-query.scw PDB file : Tito_Scwrl_1B3O.pdb: