Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGRRLGGKRMEQAYLDLGRKLLEEGHRKEDRTGTGTLSLFGYQMRFDLQKGFPLLTTKRVPFGLIKSELLWFLKGDTNIRYLLQNKNHIWDEWAFERYIKSPDYNGPDMTDFGHRCLTDPEFNEEYKKQSKLFCEKILTDDSFAETYGDLGHIYGYQWRHWETKDGGFIDQIKQVIEAIKKTPDSRRLIVSAWNPEDVPSMALPPCHTMFQFYVQEGRLSCQLYQRSGDVFLGVPFNIASYALLTHLIAHETGLAVGEFVHTLGDAHLYINHIEQMKEQLSREIRAFPTLVLNQEKQSVFDFEMEDIQLEGYDPHPAIKAPIAV 1JUT Chain:B ((4-264)) -----------KQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELLWFLQGDTNIAYLHENNVTIW--------------------------------------------------DEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDFVWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEIEGYDPHPGIKAPVAI

General information: TITO was launched using: RESULT: Template: 1JUT.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 : 1269 -23387 -18.43 -89.61 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.84 3D Compatibility (PKB) : -18.43 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.107

(partial model without unconserved sides chains): PDB file : Tito_1JUT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1JUT-query.scw PDB file : Tito_Scwrl_1JUT.pdb: