Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGRRLGGKRMEQAYLDLGRKLLEEGHRKEDRTGTGTLSLFGYQMRFDLQKGFPLLTTKRVPFGLIKSELLWFLKGDTNIRYLLQNKNHIWDEWAFERYIKSPDYNGPDMTDFGHRCLTDPEFNEEYKKQSKLFCEKILTDDSFAETYGDLGHIYGYQWRHWETKDGGFIDQIKQVIEAIKKTPDSRRLIVSAWNPEDVPSMALPPCHTMFQFYVQEGRLSCQLYQRSGDVFLGVPFNIASYALLTHLIAHETGLAVGEFVHTLGDAHLYINHIEQMKEQLSREIRAFPTLVLNQEKQSVFDFEMEDIQLEGYDPHPAIKAPIAV 1F4F Chain:B ((4-261)) -----------KQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELLWFLQGDTNIAYLHENNVTIW--------------------------------------------------DEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDFVWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEIEGYDPHPGIKAP---

General information: TITO was launched using: RESULT: Template: 1F4F.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1267 -22621 -17.85 -87.68 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -17.85 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.094

(partial model without unconserved sides chains): PDB file : Tito_1F4F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1F4F-query.scw PDB file : Tito_Scwrl_1F4F.pdb: