Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDITPFLDKKSKTP-LYEQLYTFFKQEISHARITKGTRLPSKRRLSSLLDVSTATIERAYEQLTAEGYVKSKPKIGWFAAEVE--PGFPTAPDHFQQSVQPGLHQKNAPAIDFHQGSVDPTLFPFNAWRKSIVKSLDRYSGSFHTSGDPQGEYELRHMIARFVRLSRGVNCEPGQIIIGAGTTVLLQNLCLSLKPGTKIGFEEPGFHRSRRMFEANHMDVTPICSDAEGVLPDELYRQNPYLMYTTPSHQFPIGTIMTITRRQELLAWAAET-NSFIIEDDYDGEFRYSGHPIPSLQGLDPNGRVIYLGTFSKSLLPSLRLSFMIVPPELMEPIQNNVQLMKQTVSAHSQLALADFIETGEWQKHINRMRSLYRKKHAVLLEAIRSELGNTVEILGKNSGLHILLRLLFPASEEEAIQAAADHGVTLYPVS----PSYIEQTPFTSVLIGYGGLSEEDIRLGIQKLKTAWAPLISSY 4MGR Chain:A ((2-469)) -DITITLDRSEQADYIYQQIYQKLKKEILSRNLLPHSKVPSKRELAENLKVSVNSVNSAYQQLLAEGYLYAIERKGFFVEELDMFSAEEHPPFALPDDLKE-IHIDQSDWISFSHMSSDTDHFPIKSWFRCEQKAASRSYRTLGDMSHPQGIYEVRAAITRLISLTRGVKCRPEQMIIGAGTQVLMQLLTELLPKEAVYAMEEPGYRRMYQLLKNAGKQVKTIMLDEKGMSIAEITRQQPDVLVTTPSHQFPSGTIMPVSRRIQLLNWAAEEPRRYIIEDDYDSEFTYDVDSIPALQSLDRFQNVIYMGTFSKSLLPGLRISYMVLPPELLRAYKQR-GYDLQTCSSLTQLTLQEFIESGEYQKHIKKMKQHYKEKRERLITALEAEFSGEVTVKGANAGLHFVTEFDTRRTEQDILSHAAGLQLEIFGMSRFNLKENKRQTGRPALIIGFARLKEEDIQEGVQRLFKA------VY

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 : 2194 -229116 -104.43 -498.08 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -104.43 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.553

(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: