Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPRIPVINTSHLDRIDELLVDNIDTGEFKLHRSVFTDEALFDLEMKYIFEGNWVYLAHESQIPNNNDYYTTYIGRQPIIIARNRNGELNAMMNACSHRGAQLCRYKRGNKATYTCPFHGWTFNNSGKLLKVKDPTDAGYSDCFNQDGSHDLKKVARFESYKGFLFGSLNPDVPSLEEFLGETTKIIDMIVDQSEHGLEVLRGSSTYTYEGNWKLTAEN-GADGYHVSAVHWNYAATTQHRKE--TQAADNIRAMSAGSWGKQGGGSYGFENGHMLLWTQWANPEDRPNFPKADEYTEKYGEAMSKWM------IERSR-NLCLYPNVYLMDQFGSQIRVLRPLSVNRTEVTIYCIAPKGEARARRIRQYEDFFNASGMATPDDLEEFRACQAGYAGIALEWNDMCRGSKHWIYGPDDAANEIGLKPMLSGIKTEDEGLYLAQHQYWLKTMKHAIATEKEIADQGETA 2HML Chain:A ((20-334)) ---------------------------------IHGDEELFQHELKTIFARNWLFLTHDSLIPAPGDYVTAKMGIDEVIVSRQNDGSIRAFLNVCRHRGKTLVSVEAGNAKGFVCSYHGWGFGSNGELQSVPFEKDL-YGESLNKK-CLGLKEVARVESFHGFIYGCFDQEAPPLMDYLGDAAWYLEPMFKHSG-GLELVGPPGKVVIKANWKAPAENFVGDAYHVG---WTHASSLRSGESIFSSLAGNAALPPEGA-GLQMTSKYG--SGMGVLWDGYSGVHSADLVPELMAFGGAKQERLNKEIGDVRARIYRSHLNCTVFPNNSMLTCSGV-FKVWNPIDANTTEVWTYAIVEK-------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2HML.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 : 1531 -99055 -64.70 -324.77 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -64.70 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.369

(partial model without unconserved sides chains): PDB file : Tito_2HML.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HML-query.scw PDB file : Tito_Scwrl_2HML.pdb: