Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSSAPYNEQVIRDITKILNANFSFPTS-ITNIELLVKGMNYTLRVECKNTKYYLKIFSASRDKI-DISFEMHVINRLSASGIGVATAINSINGDAYINLTLAGEDRLAVLYAHVGGRTLT-SDPRDIFLFSKALAEIHRTPTSFFLQ--YT-SRIFSIESECYRIRSSIEKHSYIPKPLASKLLDNCYSIQALASTDC-AVLSHGDAWLGNAKYV-NGVIYFIDLEDSKLANRNFDLGVMAYNLIVKK--YEVRENIQALLRGYNELNTSIT-SGSIKPY-IQLRSLFVLCFLLENKLVDQSLLQKVFERAEYFTSSKFDSEMAHLP 2PPQ Chain:A ((9-281)) --------------EDELRNFLTQYDVGSLTSYKGIAE--NSNFLLHTTKDPLILTLYEK----KNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGEL----SGRPAALISFLEGMWLRKPEAKHCREVGKALAAMHLASEGFEIKRPNALSVDGWK-VLWDKSEERADE---VEKGLREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSALRFFLTRL---------------------------------

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 : 1128 -42059 -37.29 -164.94 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -37.29 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.311

(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: