Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDSFILVFLYALIYRNGGCRLLDKWLKAELEKKIG-AIQHMSLLDEQGGTSTVRKIVTSQGAFLLKSSSRQRYREWLRREALVLQKLTETHRLPVPVYYGFIQQ------QHSSHIVMSFEDGITLTSALRKAKGDTEKKKLIKSFGQFLNRLHETELVPDLQ-----PEIDWLDLQIKRAGEY---VEKGQAEGSAGLLKELDQHRPVPVQQTMIHGDCTTDNVLVKDGEVCLFIDAAGISAGDPRYDESLAIRNFAT------NEAFLNAFYEGYCRYR-VSKQEFEYFNGGLYEFF 2PPQ Chain:A ((9-263)) ----------------------EDELRNFLTQYDVGSLTSYKGI-AE---NSNFLLHTTKDPLILTLYEK---KNDLPFFLGLMQHLA-AKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRKP---------EAKHCREVGKALAAMHLASEGFEIKRPNALSVDGWKVL-WDKSEERADEVEKGLREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAELE----------

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 : 906 -20998 -23.18 -92.50 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -23.18 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.379

(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: