Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------MLTIVQ-EALTFDDVLLLPAYSTV-LPKDVSLKTRLTRG-IYLNIPLVSAAMDTVTESRMAIAMAQNGGIGILHKNMDIAAQAAEVRRVKKFEAGMVKDPITVSPETTVRELIAITSANNISGVPVVKDGKVVGIVTGRDTRFETNLEQPVSNIMTGQDRLVTVREGESKENIQALLQKHRIEKVLVVGESNELKGLITVTDFRKAESYPNSCKDDLGRLRVGAAVGTGADTPSRVEALVEAGVDVIVVDTAHGHSAGVIERVRWVKQNFPQVQVIGGNIATGDAALALLDAGADAVKVGIGPGSICTTRIVAGIGMPQISAIDSVASALKDQIPLIADGGIRFSGDMAKAIGAGASTIMVGSLLAGTEEAPGEVEFFQGRYYKAYRGMGSLGAMAGATGSADRYFQDSKAGAEKLVPEGIEGRVPYKGPMGNIVHQMMGGLRSSMGYTGSAVIEDLRQNAKFVKITSAGMSESHVHDVTITKEAPNYRVG 1B3O Chain:A ((10-498)) TSYVPDDGLTAQQLFNC--GDGLTYNDFLILPGYID-FTADQVDLTSALTK-KITLKTPLVSSPMDTVTEAGMAIAMALTGGIGFIHHNCTPEFQANEVRKVKD---------------------------------------------------------------------------------------------------------------------YPLASKDAKKQLLCGAAIGTHEDDKYRLDLLAQAGVDVVVLDSSQGNSIFQINMIKYIKDKYPNLQVIGGNVVTAAQAKNLIDAGVDALRVGMGSRP------QATAVYKVSEYARRF------GVPVIADGGIQNVGHIAKALALGASTVMMGSLLAATTEAPGE----------------------------------------------------DKGSIHKFVPYLIAGIQHSCQDIGAKSLTQVRAMMYSGELKFEKRTSSAQ---------------

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 : 1677 30807 18.37 106.97 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 18.37 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.524

(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: