Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKKKMILTSLASVAILGAGFVASQPTVVRAEESPVASQSKAEKDYDAAKKDAKNAKKAVEDAQKALDDAKAAQKKYDEDQKKTEEKAALEKAASEEMDKAVAAVQQAYLAYQQATDKAAKDAADKMIDEAKKREEEAKTKFNTVRAMVVPEPEQLAETKKKSEEAKQKAPELTKKLEEAKAKLEEAEKKATEAKQKVDAEEVAPQAKIAELENQVHRLEQELKEIDESESEDYAKEGFRAPLQSKLDAKKAKLSKLEELSDKIDELDAEIAKLEDQLKAAEENNNVEDYFKEGLEKTIAAKKAELEKTEADLKKAVNEPEKPAPAPETPAPEAPAEQPKPAPAPQPAPAPKPEKPAEQPKPEKTDDQQAEEDYARRSEEEYNRLTQQQPPKAEKPAPAPKTGWKQENGMWYFYNTDGSMATGWLQNNGSWYYLNSNGAMATGWLQYNGSWYYLNANGAMATGWAKVNGSWYYLNANGAMATGWLQYNGSWYYLNANGAMA-TGWAKVNGSWYYLNANGAMATGWLQYNGS---WYYLNANGAMATGWAKVNGSWYYLNANGAMATG-WVKDG--DTWYYLEASGAMKASQWFKVSDKWYYVNGLGALAVNTTVDG--YKVNANGEWV 4CNL Chain:A ((3-177)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SGWVKQDGAWYYFDGNGNLVKN--AWQGS-YYLKADGKMA------QSEWIYDSSYQA-----------WYYLKSDGSYAKNAWQGA----YYLKSNGKMAQGEWVYDSSYQAWYYLKSDGSYARNAWQGN---YYLKSDGKMAKGEWVYDATYQAWYYLTSDGSYAYSTWQGN----YYLKSDGKMAVNEWVDGGRYYVGADGVW-

General information: TITO was launched using: RESULT: Template: 4CNL.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 : 665 -23054 -34.67 -138.88 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -34.67 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.480

(partial model without unconserved sides chains): PDB file : Tito_4CNL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CNL-query.scw PDB file : Tito_Scwrl_4CNL.pdb: