Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAAKTHFSEHTLKDILSRYTLGELLAFEPVTTGTVQTNYFLQTTQGRFVFRYYQNRSLESVL-FESELIRYLTRCNYPCPAVLQDRNGEHAGIYNEKPYAIFEFATGQHLDHPNEAQKRQLVQKVAELNSITRGYKPLHTPYRLNYNV-ESCWELAQEATQRINTAQAREKLAWLEHTLAGLHLPPSLPRGVCHCDFHFSNLLFTDGKFSALIDFDDANYTFLLYDLAALINPFQASFDWNTWPRFQEEENVFDFSETRTILQEYTRHRALSMDEKWHLFDVYKLSILFDCIWYFERWEGEDFYEQRKIAYLDRLGRDQFYAQIFAD 2PPQ Chain:A ((5-261)) ----TDITEDELRNFLTQYDVGSLTSYKGIAE---NSNFLLHTTKDPLILTLYEK---KNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRKPEAKHCREVGKALAAMHLASEGFE-IKRPNALSVDGWKVLWDKSEERADEVEKGLREEIRPEIDYLAA--HWPKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICL---------NAW--CFEKDGAYNVTKGKALLEGYQSVRPLSEAE----------------------------------------------------

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 : 1076 -45946 -42.70 -184.52 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -42.70 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.420

(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: