Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRILIVTGQSGSGKSSALQVLE-DLGYYCIDNLPLAL--LP----EIVAKLDHEN-----------NLEQLALGVDVRSTRADMQEFDHVFEQLQKHGTVDVIYLTTQDQDLIARFSASRRPHPLANR---FKSLLQCIHEEKQLLIPI-QFCATVHIDTTDKSVHDLKHILLSKLGQSDNLIVILQSFGYKHGIPLDADYVFDVRHLPNPHWDLELRRFSGLDEPVKQFLEASPQANEMFEDILHFLKKWLPAFAEGHRHYMTISIGCTGGQHRSVYMVDRLKQALEAEWSVQVLHREMKHWS 1KAG Chain:A ((3-171)) EKRNIFLVGPMGAGKSTIGRQLAQQLNMEFYDSDQEIEKRTGADVGWVFDLEGEEGFRDREEKVINELTEKQGIVLATGGGSV---KSRETRNRLS--ARGVVVYLETTIEKQLART-------PLLHVETPPREVLEALANERN---PLYEEIADVTI-----SAKVVANQIIHMLE-------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1KAG.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 : 620 13816 22.28 101.58 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 22.28 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.426

(partial model without unconserved sides chains): PDB file : Tito_1KAG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KAG-query.scw PDB file : Tito_Scwrl_1KAG.pdb: