Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKPELIELATSCFGLT-VDEQLPIGESFASEVLRFRSGRQCYVLKRPFSL-EKAEREYFWLKRLSH-CPFVPDALEITK------ANDHGLILMTSLEGMPLKSFHQLSHRDLSKLGHDLRALHTVSADSFDG------HKSWRELLLSNTDRYIDKIIGPARKTAEMAYA-RFHEGIDEIPDSYLPTATHFDFRDGNILADESGYTGIIDFESMRGGHASMDFFKLLTHPSDM-----NDIELTALLAGYGSADWLESM-AQLKHLVACYAVYHGLAGLAWCSQREQTSTEFYQRCAGFLEQGR 2PPQ Chain:A ((8-282)) -TEDELRNFLT-QYDVGSLTSYKGIAE---NSNFLLHTTKDPLILTLYEK-KNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRKP-E--AKHCREVGKALAAMHLASEGFEIKRPNALSVDGWKVLW----DKSEERADEVEKG-LREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSV---RPLSEAELEALPLLSRGSALRFFLTRLY--------------------

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 : 1051 -30467 -28.99 -123.35 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -28.99 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.412

(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: