Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPALVLDPECRSDQQIASDFLTYLQSESSDRVAYELEPMRLRGGCDARLYRYKLIDEEPKVLRVLRPEREVEELMHHQLVHRTLNQQGLKTPLIHRVCGDKT---VLGGVFAVMDLLPGQIVFALDPERHGKVLGESMAAMHGLDVRPIVESLRRAGV--PDERFLSPVFQHKVLGFF-EQTTPWSADLMAWLRDHLPLDGETLAVIHGDYHGGNVMVDNGSISGVLDWGF-CIADPAVDLAHTMNVYRVLVRQVDPAMSSQVCEQIIDGVLKTYQSIRPLNHERIKACRVFHLLSLLAAGVAGVGPEFVRKPESQRDYLSFIEQTTGIRLSPSA 2PPQ Chain:A ((5-272)) ------------TDITEDELRNFLTQYD--VGSL-TSYKGIAE---NSNFLLHTTK-DPLILTLYEK---KNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRKP-EAKHCREVGKALAAMHLASEGFEIK-RPNALSVDGWKVLW-DK-SEERADEVEKGLREEIRPEIDYLAAHWPKDL-PAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDG------AY-NVTKGKALLEGYQSVRPLSEAELEALPLLSRGS---------------------------------------

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 : 1124 -77744 -69.17 -304.88 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -69.17 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.276

(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: