Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTLGSPRKGLLMLLMALVTQGDPVKPSRGPLVTCTCESPHCKGPTCRGAWCTVVLVREEGRHPQEHRGCGNLHRELCRGRPTEFVNHYCCDSHLCNHNVSLVLEATQPPSEQPGTDGQLALILGPVLALLALVALGVLGLWHVRRRQEKQRGLHSELGESSLILKASEQGDSMLGDLLDSDCTTGSGSGLPFLVQRTVARQVALVECVGKGRYGEVWRGLWHGES-VAVKIFS--SRDEQSWFRETEIYNTVLLRHDNILGFIASDMTSRNSSTQLWLITHYHEHGSLYDFLQR----QTLEPHLALRLAVSAACGLAHLHVEIFGTQGKPAIAHRDFKSRNVLVKSNLQCCIADLGLAVMHSQGSDYLDIGNNPRVGTK---RYMAPEVLDEQIRTDCFESYKWTDIWAFGLVLWEIARRTIVNGIVEDYRPPFYDVVPNDPSFEDMKKVVCVDQQTPTIPNRLAADPVLSGLAQMMRECWYPNPSARLTALRIKKTLQKISNSPEKPKVIQ 5XY1 Chain:A ((14-203)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IKLVKRLGAGQFGEVWMGYYNNSTKVAVKTLKPGTMSVQAFLEEANLMKT--LQHDKLVRLYA--VVTREEP--IYIITEYMAKGSLLDFLKSDEGGKVLLPKL-IDFSAQIAEGMAYIE--------RKNYIHRDLRAANVLVSESLMCKIADFGLARV------------------KFPIKWTAPEA----INFGCFTIK--SDVWSFGILLYEI-----------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5XY1.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 : 736 -39937 -54.26 -237.72 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -54.26 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.151

(partial model without unconserved sides chains): PDB file : Tito_5XY1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5xy1-query.scw PDB file : Tito_Scwrl_5XY1.pdb: