Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDITPFLDKKSKTP-LYEQLYTFFKQEISHARITKGTRLPSKRRLSSLLDVSTATIERAYEQLTAEGYVKSKPKIGWF-------AAEVEPGFPTAPDHFQQSVQPGLHQKNAPAIDFHQGSVDPTLFPFNAWRKSIVKSLDRYSGSFHTSGD---PQGEYELRHMIARFVRLSRGVNCEPGQIIIGAGTTVLLQNLCLSLKPGTKIGFEEPGFHRSRRMFEANHMDVTPICSDAEGVLPDELYRQNPYLMYTTPSHQFPIGTIMTITRRQELLAWAAET-NSFIIEDDYDGEFRYSGHPIPSLQGLDPNGRVIYLGTFSKSLLPSLRLSFMIVPPELMEPIQNNVQLMKQTVSAHSQLALADFIETGEWQKHINRMRSLYRKKHAVLLEAIRSELGNTVEILGKNSGLHILLRLLFPASEEEAIQAAADHGVTLYPVSPSYIE----QTPFTSVLIGYGGLSEEDIRLGIQKLKTAWAPLISSY 4MGR Chain:A ((2-467)) -DITITLDRSEQADYIYQQIYQKLKKEILSRNLLPHSKVPSKRELAENLKVSVNSVNSAYQQLLAEGYLYAIERKGFFVEELDMFSAEEHPPF-ALPDDLKE-----IHIDQSDWISFSHMSSDTDHFPIKSWFRCEQKAASR---SYRTLGDMSHPQGIYEVRAAITRLISLTRGVKCRPEQMIIGAGTQVLMQLLTELLPKEAVYAMEEPGYRRMYQLLKNAGKQVKTIMLDEKGMSIAEITRQQPDVLVTTPSHQFPSGTIMPVSRRIQLLNWAAEEPRRYIIEDDYDSEFTYDVDSIPALQSLDRFQNVIYMGTFSKSLLPGLRISYMVLPPELLRAYKQRGYDL-QTCSSLTQLTLQEFIESGEYQKHIKKMKQHYKEKRERLITALEAEFSGEVTVKGANAGLHFVTEFDTRRTEQDILSHAAGLQLEIFGMSRFNLKENKRQTGRPALIIGFARLKEEDIQEGVQRLFKA--------

General information: TITO was launched using: RESULT: Template: 4MGR.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 : 2139 -229020 -107.07 -508.93 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -107.07 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.558

(partial model without unconserved sides chains): PDB file : Tito_4MGR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MGR-query.scw PDB file : Tito_Scwrl_4MGR.pdb: