Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFEFLKDIKELEDVESVEKINKGYSKDEKFKIKLKNKDEYLLFRLSDISLYEQKKKEYEVISKFSKLGFEMSKPISFGICN----DKKNVYMLLSWINGVDLSDVLPKLSSEEQYLLGRKAGKILKAIHSLKVEDKNY------DDSLKIKLLDKIEKYESSD-VRVENDSNFIEYVKRNVDKICGNYSYLHGDFHPSNLILMENNEIGVIDFNRWEIFDSYEEFYKLESFGIE-----FSIPYCVGQIDSYFED-DVPNEFWEIQAIYVACYTLYSIKWAEKFGEKEILGMKRRFYKTFENYENFKTIIPKWYSDYKNNKGYSL 2PPQ Chain:A ((20-280)) ---------DVGSLTSYKGIAE---N-SNFLLHTTK--DPLILTLYEK--KNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRKP--------EAKHCREVGKALAAMHLASEGFEIKRPNALSVDGWKVLWDKSEERADEVEKGLREEIRPEIDYLAAHWP-KDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSALRFFLTR--------------------------------------------

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 : 1003 -36109 -36.00 -151.72 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -36.00 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.295

(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: