Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMKTEPSINLSLKRLVENPSYADACDILDERPLEFWLPTIEVILSQHQLAK-KTVLRISNGSNALFDI---DNEYILKLVPPNWDYQGISEVTSLTLLNLANHSENLSLAVPKMIGFGRV------DNWFYVIMTKLKGLSMATVWPDLNTAQKLPLVKQLGQFMTELHQITSTQAFTP-DPRLSVDWPEYIKGLISDSVPRHARKGVSPELVTQISDYLQAADSDF-NDIHAVFIHMDLHPWNLMVEKHHGHYRLCGVVDFGDALVGNCQLLELATPIIFVCQG-----NKTLIDELVANYSPLNEVYLDRQVLQRQLMAVSLIRPACDFNFVLQQVPQSGKRDSWQAIAKQLFPLYKGRPA 2PPQ Chain:A ((8-281)) -----------------------------------TEDELRNFLTQYDVGSLTSYKGIAE--NSNFLLHTTKDPLILTLYEK--KNDLPFFLGLMQHLA-----AK-GLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRKP--------EAKHCREVGKALAAMHLASEGFEIKRPNALSVDGWKVLWDKSEER-AD-----EVEKGLREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFLGDE----LSGLIDFYFACND-LLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSV---RPLSEAELEALPLLSRGSALRFFLTRL----------------------------

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 : 1085 -44242 -40.78 -176.26 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -40.78 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.347

(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: