Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQLTELSIKNQNVFVQHYIDGKEEMSSFFDYSIHHKDMWRERLEDLSSRFFAREELAAYLTSYHNKFGSSAMQSAIEKLKDPSSAAVVGGQQAGLLTGPLYTI-HKIISIIVLAKQQEKELQVPVIPIFWVAGEDHDLDEINFVHTSEENGPVKKKLPQSYWKKSSAAS-TSLDQEKCAAWIDDVFAAFEETDHTNTLLDNVKRCLRESVTF---TDFFELLIADLFQEEGLVLLNSGDPGIKKLETAMF------QKILRENDELARAVSDQQ---AFMRQAGY-----KPIIESGKEQANLFYEYEDERFLIEKDNGRFVIKELDLGWTRDELHTHMEEHPERFSNNVVTRPLMQEFLIPTL--AFIAGPGEINYWGELKQAFAVMGFKMPPVMPRLNITILERHIEKKLAERNISLQDAIERGTENQRETYFERQIPEEFTAVMDQAKSQIEAIHKTVRQEALKVDQSLEPLLLKNAAFIQDQLQFLERTVMKRIEEKEG--YVLKDYERIQNSIKPLLAPQERIWNIMYYLNRYGPKFFTTFKNLPFSFQNQHQVVKL 4MGR Chain:A ((2-469)) DITITLDRSEQADYIYQQIYQKLKKEILSRNLLPH------------SKVPSKRELAENL-----KVSVNSVNSAYQQLLAE---------------GYLYAIERKGFFVEELDMFSAEEHPPFALPDDLKEIHIDQSDWISFSHMSSDTDHFPIKSWFRCEQKAASRSYRTLGDMSHPQGIYEVRAAITRLISLTRGV----KCRPEQMIIGAGTQVLMQLLTELLPKEAVYAMEE--PGYRRMYQLLKNAGKQVKTIMLDEKGMSIAEITRQQPDVLVTTPSHQFPSGTIMPVSRRIQLLNWAAEEPRRYIIEDD--------YDSEFTYDVDSIPALQSLDRF-QNVIYMGTFSKSLLPGLRISYMVLP------PELLRAYKQRGYDLQTC-SSLTQLTLQEFIESGEYQKHIKKMKQHYKEKRERLITALEAEFSGEVTVKGANAGLHFVTEFDTRRT---------EQDILSHAAGLQLEIFGMSRFNLKENKRQTGRPALIIGFARLKE--EDIQEGVQRLFKAVY-----------------------------

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 : 2000 -152081 -76.04 -341.75 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -76.04 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.66 QMean score : ?

(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: