Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKKKMILTSLASVAILGAGFVASQPTVVRAEESPVASQSKAEKDYDAAKKDAKNAKKAVEDAQKALDDAKAAQKKYDEDQKKTEEKAALEKAASEEMDKAVAAVQQAYLAYQQATDKAAKDAADKMIDEAKKREEEAKTKFNTVRAMVVPEPEQLAETKKKSEEAKQKAPELTKKLEEAKAKLEEAEKKATEAKQKVDAEEVAPQAKIAELENQVHRLEQELKEIDESESEDYAKEGFRAPLQSKLDAKKAKLSKLEELSDKIDELDAEIAKLEDQLKAAEENNNVEDYFKEGLEKTIAAKKAELEKTEADLKKAVNEPEKPAPAPETPAPEAPAEQPKPAPAPQPAPAPKPEKPAEQPKPEKTDDQQAEEDYARRSEEEYNRLTQQQPPKAEKPAPAPKTGWKQENGMWYFYNTDGSMATGWLQNNGSWYYLNSNG-----------AMATGWLQYNGSWYYLNANGAMATGWAKVNGSWYYLNANG-AMATGWLQYNGSWYYLNANGAM-ATGWAKVNGS---------------------------------------------------WYYLNANGAMATGWLQYNGSWYYLNANGAM-ATGWAKVNGSWYYLNANGAM-------------------------------ATGWVKDGDTWYYLEASGAMKASQWFKVSDKWYYVNGLGALAV---NTTVDG--YKVNANGEWV 2QJ6 Chain:A ((16-331)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GYTSINGKHFYFNTDGIMQIGVFKGPNGFEYFAPANTDANNIEGQAILYQNKFLTLNGKKYYFGSDSKAVTGLRTIDGKKYYFNTNTAVAVTGWQTINGKKYYFNTNTSIASTGYTIISGKHFYFNTDGIMQIGVFKGPDGFEYFAPANTDANNIEGQAIRYQNRFLYLHDNIYYFGNNSKAATGWVTIDGNRYYFEPNTAMGANGYKTIDNKNFYFR-NGLPQIGVFKGSNGFEYFAPANTDANNIEGQAIRYQNRFLHLLGKIYYFGNNSKAV-TGWQTINGKVYYFMPDTAMAAAGGLFEIDGVIYFFGVDGVKA

General information: TITO was launched using: RESULT: Template: 2QJ6.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 : 888 -13301 -14.98 -61.86 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -14.98 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.158

(partial model without unconserved sides chains): PDB file : Tito_2QJ6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QJ6-query.scw PDB file : Tito_Scwrl_2QJ6.pdb: