Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIIQAISIKKTIGGNPLFEDLSCQIEAGEKIALVGINGTGKSTFLQILTGREGVDSGVISRKK-------------GLKIGTVEQELTVS-EATVNHYLLHSAAEIQDLKQQMSRYEALMTEPDTNLEKCLARYGELQHRFEELGGYVLEDRIAAILQGLGIPHRQEAR-LTELSGGERVKVALAKILAADADLLLLDEPTNHLDLNSIRWLENYLQNT----KKSVLVVSHDRQFLDQVTTKTWELEEGALIEYPGNYSRFRVLKEARLAELTKNYELQQKEVQRLKVMIRRFRQWAHEGDNESFFKKAKELERRLAKLTLVKPPPPPKNRLQSLSNGGKSGKEVFIIQNLHQQYADQVLFKDSSFAVYRGDHLAIIGDNGAGKSTLLKLLLGEEKPYGGTIKLGSSLQIGYLPQQLQFADPDSRLLAYAITLTGNEEVARRQLAKSGFYQSDVGKRIKDLSGGEKIRLALLKLFLEKINVLILDEPTNHLDSYAREEIEEMLQDYQGTLLAVSHDRYFLQQHFQEALVIDQEQISRQPLGQLID 3FVQ Chain:B ((4-227)) -ALHIGHLSKSFQNTPVLNDISLSLDPGEILFIIGASGCGKTTLLRCLAGFEQPDSGEISLSGKTIFSKNTNLPVRERRLGYLVQEGVLFPHLTVYRNIAYGLGNGKGR------------------------------------TAQERQRIEAMLELTGISE-LAGRYPHELSGGQQQRAALARALAPDPELILLDEPFSALDEQLRRQIREDMIAALRANGKSAVFVSHDREEALQYADRIAVMKQGRILQT-ASPHELY-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3FVQ.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 : 995 -14735 -14.81 -71.88 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -14.81 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.570

(partial model without unconserved sides chains): PDB file : Tito_3FVQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3FVQ-query.scw PDB file : Tito_Scwrl_3FVQ.pdb: