Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRILIVTGQSGSGKSSALQVLE-DLGYYCIDNLPLAL--LP----EIVAKLDHE---N--------NL-EQLALGVDVRSTRADMQEFDHVFEQLQKHGTVDVIYLTTQDQDLIARFSASRRPHPLANRFKSLLQCIHEEKQLLIPIQ-FCATVHIDTTDKSVHDLKHILLSKLGQ--SDNLIVILQSFGYKHGIPLDADYVFDVRHLPNPHWDLELRRFSGLDEPVKQFLEASPQANEMFEDILHFLKKWLPAFAEGHRHYMTISIGCTGGQHRSVYMVDRLKQALEAEWSVQVLHREMKHWS 2IYV Chain:A ((2-180)) -APKAVLVGLPGSGKSTIGRRLAKALGVGLLDTDVAIEQRTGRSIADIFATDGEQEFRRIEEDVVRAALADHDGVLSLGGGA-V----TSPGVRAAL--AGHTVVYLEISAAEGVRRTGGN-TVRPLLAG-PDRAEKYRALMAKRAPLYRRVATMRVDTNRRNPGAVVRHILSRLQVPSPSEAATLEHH--------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2IYV.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 : 734 -9828 -13.39 -62.60 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -13.39 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.444

(partial model without unconserved sides chains): PDB file : Tito_2IYV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IYV-query.scw PDB file : Tito_Scwrl_2IYV.pdb: