Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MREALQKALEALFGPGEIAELKRLAGGASKEAWAVDYRSGAGLHPLFLRRAGGGVIYRGTLSLEAEFRTL-ELARAHRVRVPRPLL-----YLPDLEGREAFLMERLPG-ESIGARVVRRPEYARARARLPEAMAEELAKIHAIPPEEAPFLPRPEGSPPWRVALEEAYRDLDALGE-PHPALEWGLRWLREHPPRERPPVLVHGDFRIGNLLVDEEGLLAVLDWEFAHIGDPREDLAWPLVRAWRFGEDGKRLGGVGEVEPFLERYNALTGQDLVPEELFWWEVLGNVRWGLGALNQAQRHLKGEERSV----ELAILGRLAAEMEYEILFLLESHG 2PPQ Chain:A ((5-320)) -TDITEDELRNFLTQYDVGSLTSYKGIAENSNFLLHTTKDPLILTLYEKK-----------NDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWL-----------RKPEAKHCREVGKALAAMHLASEGFEIKRPNALSVDGWKVLWDKSEERADEVEKGLREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSI-CLNAWCFEKDGAY--NVTKGKALLEGYQSV--RPLSEAELEALPLLSRGSALRFFLTRLYDWLTTPAGALVVKKDPLEYLRKLRFHRTIANVAEYGLA

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 : 1439 -39866 -27.70 -133.78 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -27.70 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.446

(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: