Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MARMAKVVELPSIAKIDKSKGKISAQLTQALREAVQSGDLQPGDPLPSSRELALTLGVARGTIIEAYDQLLAEGVFDSQPRTGTYVSHALVKTSAIQHSSKENKPNSISLNKSARSYAKVLDEFKPLPHVPFAVSVPIARTQ------PSDIWRKFGNKFRSRGAGVPSGYGEPQGVLSLRIAIADYVRRSRSVHCEPEQIVITPSIQQSLYICNQILFEAKDEVW-VEDPAYRGTTAIFEHTVQNIRMVRVPVDEEGIQIETGIKLSKQASAAFVTPSHQYPLGMPMSLARRTALLAWAKQQ-NAWIIEDDYDSELRYNGQPFPSLQGMAPDQ-AIYLGTFSKVLFPSLRLGYAVLPKELVAPFCGLRVLIDRHPPAADQHVLAAFIQEGYLERHIRRTRNVYAEVREYIIGLIEKYIPQELAWLQLGDQGMHMVLWLAQHINDIDVASSAVDAGIAIKAISPTFSKERRRS----GLIVGLGDFEPELMQQAIKKLSKIIQQHAKSM 4MGR Chain:A ((16-469)) ----------------------IYQQIYQKLKKEILSRNLLPHSKVPSKRELAENLKVSVNSVNSAYQQLLAEGYLYAIERKGFFVEELDM------FSAEEHPPFALP------------DDLKEI-HIDQSDWISFSHMSSDTDHFPIKSWFRCEQKAASRSYRTLGDMSHPQGIYEVRAAITRLISLTRGVKCRPEQMIIGAGTQVLMQLLTELL--PKEAVYAMEEPGYRRMYQLLKNAGKQVKTIM--LDEKGMSIAEITR--QQPDVLVTTPSHQFPSGTIMPVSRRIQLLNWAAEEPRRYIIEDDYDSEFTYDVDSIPALQSLDRFQNVIYMGTFSKSLLPGLRISYMVLPPELLRAY-KQRGYDLQTCSSLTQLTLQEFIESGEYQKHIKKMKQHYKEKRERLITALEAEFSGEVT-VKGANAGLHFVTEFDTRRTEQDILSHAAGLQLEIFGMSRFNLKENKRQTGRPALIIGFARLKEEDIQEGVQRLFKAVY------

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 : 2054 -8092 -3.94 -18.35 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -3.94 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.454

(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: