Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLTIVQEALTFDDVLLLPAYSTVLPKDVSLKTRLTRGIYLNIPLVSAAMDTVTESRMAIAMAQNGGIGILHKNMDIAAQAAEVRRVKKFEAGMVKDPITVSPETTVRELIAITSANNISGVPVVKDGKVVGIVTGRDTRFETNLEQPVSNIMTGQDRLVTVREGESKENIQALLQKHRIEKVLVVGESNELKGLITVTDFRKAESYPNSCK-DDLGRLRVGAAVGTGADTPSRVEALVEAGVDVIVVDTAHGHSAGVIERVRWVKQNFPQVQVIGGNIATGDAALALLDAGADAVKVGIGPGSICTTRIVAGIGMPQISAIDSVAS-ALKDQIPLIADGGIRFSGDMAKAIGAGASTIMVGSLLAGTEEAPGEVEFFQGRYYKAYRGMGSLGAMAGATGSAD--------RYFQDSKAGAEKLVPEGIEGRVPYKGPMGNIVHQMMGGLRSSMGYTGSAVIEDLRQNA-----KFVKITSAGMSESHVHDVTITKEAPNYRVG 4AF0 Chain:B ((60-537)) --------LTYNDFLVLPGHINFPASDVSLQSKATKNIVLNTPFLSSPMDTVTEDRMAIALALHGGLGIIHHNCSAEEQAAMVRRVKKYEN------------------------------------------------------------------------------------------------------------------YPYASKVPESKQLYCGAAIGTRPGDKDRLKLLAEAGLDVVVLDSSQGNSVYQIEFIKWIKQTYPKIDVIAGNVVTREQAAQLIAAGADGLRIGMGSGSICITQEVMAVGRPQGTAVYAVAEFASRFGIPCIADGGIGNIGHIAKALALGASAVMMGGLLAGTTESPGEYFYHEGKRVKVYRGMGSIEAMEHT-----GLDNAATARYF--SEADAVK-VAQGVSGDVADKGSINKFVPYLFTGLQHSLQDAGIKSVSELHSCARSGSLRFELRTAS----------------------

General information: TITO was launched using: RESULT: Template: 4AF0.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2119 -79155 -37.35 -235.58 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -37.35 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.520

(partial model without unconserved sides chains): PDB file : Tito_4AF0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AF0-query.scw PDB file : Tito_Scwrl_4AF0.pdb: