Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDDATLARSLPALLADLWGLE-DVDVRPLGGGMNSATCLVTATGGDRFVAKWS-SDAESLEAGCSAATLLGRQGVRTGEPVGSTAGAPVVAMAGGALALLRHVPGRELDGDSGHEQQLIGTALATAHTAGCPASDTGP---FMSEWLY-PAEDVLAVA---TWLPPALAEIRREYNA-L-PQLTWTQLHTDPAPEAFIHDDATGSTGLIDWAGSRRGPALYDVASAVMYLG-------GPQQAEQFLSSYADRGPVENDELALLDIFRRFRWAIQASYFAGRIVADDRTGIVDDTDHNTEALARARRGLAEAR 2PPQ Chain:A ((8-289)) -----TEDELRNFL-TQYDVGSLTSYKGIAE---NSNFLLHTTK-DPLILTLYEK-KNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRKPEAKHCREVGKALAAMHLASEGFEIKRPNALSVDGWKVLWDKSEERADEVEKGLREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFL-GDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSALRFFLTRLYDWLTTPA-------------------------

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 : 1153 -12838 -11.13 -49.76 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -11.13 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.361

(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: