Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDYSKFQTTTDRSDMFYWQGDRPFDPIETKEIFLDRHETYDENVAKAAVSYGMQQAGKSETDAEVVHIDPSIVVGSVNIVCRAVLKDETAVIIRMHPQKIHNGYFWSESVASQIAKDNGVPTYTTYFVDDSQ---SKFDFDYMIMECVPGKNIRKDMWPLSKELDKKIAQETGYWAAKINSIATSGYGFFDNAKAKKEKKLAGVHTKWEEHLFAANEKNIGYLEDKQVITNEERKTIDAIFDTKKS-YINCENPKLIQNDIADWNELASDDGTITGVLDWDECFSGDPIMEIAAWSLFF--------GGERLENFFIGYRKVIEAEGGFEEKYHIYRLRYVLSKLAMRKKKTEFTYYDTQFQRSLVNVGLEALREELTWQSTHH 2PPQ Chain:A ((5-281)) -------------------------------------TDITEDELRNFLTQ-Y---D----VGSLTSYK-GIAE---NSNFLLHTTK-DPLILTLYEK---KNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRKP--------EAKHCREVGKALAAMHLASEGFEI-KRPN--------ALSVDGWKVLWDKSEER-ADE------VEKGLREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFL-GDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSALRFFLTRL-----------------------------------

General information: TITO was launched using: RESULT: Template: 2PPQ.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 : 1162 -62934 -54.16 -242.99 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -54.16 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.264

(partial model without unconserved sides chains): PDB file : Tito_2PPQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ppq-query.scw PDB file : Tito_Scwrl_2PPQ.pdb: