Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRQAIPWRDRSFRERFERW-------IEANVPNATWHVIKDTDLTYLLVGALNEERYYAKAV-TDISRGEAGLSAFLAERHPDFVPDVIAIDSARNWLLMRDIGG-EALRERPDVRRYEAALRQYAQ-LQRQEIDQIETYLSYGIPDRRPATLKDEIQTYLPELCAGLDRHQAEAMLALQDELLTMCDELATGMPMSLEHGDLHGGNIFWRERTNDLCILDWGDATVTHPFFSVRVFWNALYDLLPEEDEVAWYKQIQTMRTVYLEAWSGVAPKDVLWRHLLIAEELGCVYRALSWHVYVTRYRYDVAESSDKPAQWLNFLLEYRDLKRRFP---- 2PPQ Chain:A ((5-320)) ----TDITEDELRNFLTQYDVGSLTSYKGIAENSNFLLHTTKDPLILTLYEKKNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGEL----SGRPAALISFLEGMWLRK--PEAKHCREVGKALAAMHLASEGFE---------IKRPNALSVDGWKVLWDKSEERADEVEKGLREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFLG-DELSGLIDFYFACNDLLAYDVSICLNAW---CFEKDGAYNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSALRFFLTRLYDWLTTPAGAL---VVKKDPLEYLRKLRFHRTIANVAEYGLA

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 : 1416 12675 8.95 42.82 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 8.95 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.335

(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: