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:D ((1-467)) MDITITLDRSEQADYIYQQIYQKLKKEILSRNLLPHSKVPSKRELAENLKVSVNSVNSAYQQLLAEGYLYAIERKGFFVEELDMFSAEEHPPF-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 D - contact count / total energy / energy per contact / energy per residue : 2157 -239576 -111.07 -531.21 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain D : 0.81 3D Compatibility (PKB) : -111.07 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.557

(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: