Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDMKLSDSKTELARRHNKVVYQDG---N-RVVKVFNDQKPASDVFNEALNTARIMGTDIKVSEVLEVSRIE-GGEWNGSWAIANSYIPGRTLRDIASEVSYPDKNNPDLDKLQEFTEKMVDLQISVQNVKAPL-----LNRQKDKLARMVNSVKAIDP---STRYDLELRVDG---LHNIGAVCHGDFVPSNIIVADDGELYICDWAHVTSGDPVVDAAQTYLLLKLR----H-PIWAESYLELYTRKADVAKQKIHYWVPVVAAAELARGRKRDEDFLMAQVNAGDFQ 2PPQ Chain:A ((25-264)) ------TSYKGIAE---NSNFLLHTTKDPLILTLYEK---KNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRKP------------EAKHCREVGKALAAMHLASEGFEIKRPNALSVDGWKVLWDKSEERADEVEKGLREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAELEA-------------------------------

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 : 823 -3767 -4.58 -17.69 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -4.58 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.331

(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: