Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNFKVFLLAASTIAVGLVELIVGGILPQIANDLDISIVSAGQLISVFALGYAVSGPLLLALTAKIERKRLYLIALFVFFLSNLVAYFS---PNFATLMVSRVLAAMSTGLIVVLSLTIAPKIVAPEYRARAIGIIFMGFSSAIALGVPLGILI--SDSFGWRILFLGIGLLALISMLIISIFFERIPAE----K-M-IPF--------------------------------REQLKTIGNLKIASSHLVTMFTLA-----GHYTLYAYFAPFLEETLHLSSFWVSICYFLFGISAVCGGPFGGALSDRLGSFKSILLVTGSFAIIMFLLPLS----TSS-M---IFFLPVMVIWGLLSWSLAPAQQSYLIEIAPD-SSDIQQSFNTSALQVGIALGSAIGGVVLDQTGTVVSTAWCGGSIVIIAVLFAFISLTRPVQTAKKSSL 4PYP Chain:A ((63-430)) -------------------------------------TLWSLSVAIFSVGGMIGSFSVGLFVNRFGRRNSMLMMNLLAFVSAVLMGFSKLGKSFEMLILGRFIIGVYCGLTTGFVPMYVGEVSPTALRGALGTLHQLGIVVGILIAQVFGLDSIMGNKDLWPLLLSIIFIPALLQCIVL-PFCPESPRFLLINRNEENRAKSVLKKLRGTADVTHDLQEMKEESRQMMREKKVTILELFRSPAYRQPILIAVVLQLSQQLSGINAVFYYSTSIFEK-AGVQ--QPVYATIGSGIVNTAFTVVSLFVVQRAGRRTLHLIGLAGMAGCAILMTIALALLEQLPWMSYLSIVAIFGFVAFFEVGPGPIPWFIVAELFSQGPRPAAIAVAGFSNWTSNFIVGMCFQYVEQLCG------------------------------------

General information: TITO was launched using: RESULT: Template: 4PYP.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 : 1281 -216766 -169.22 -697.00 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -169.22 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.316

(partial model without unconserved sides chains): PDB file : Tito_4PYP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PYP-query.scw PDB file : Tito_Scwrl_4PYP.pdb: