Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MINKKPRIPSPVQIPEHLSFLQGFRDYLVAQTVSPHTRNAYLSDLIQCSEIHKKNRLPDWTSDDISDVLIELTK-VGKSPRSIARCLSALRQFYKSLREQKLRSDNPVATHHSPKIGRALPKDLSEEDVEALIQAPDITTALGLRDRAMFEVLYACGLRVSELLNLRLELINLKQGYLRI-TGKGNKERLVPLGQYACDWVERYLNEARPQLYKSSTDYLFLTQHGGIMSRQNFWYAIKRYALQANIQAELSPHTLRHAFATHLLNHGADLRVVQMLLGHSDLSTTQIYTHVAQVRMQQLHEKHHPRG 5HXY Chain:B ((38-316)) ---------------ETNEYLSRFVEYMTGERKSRYTIKEYRFLVDQFLSFMNK-KPDEITPMDIERYKNFLAVKKRYSKTSQYLAIKAVKLFYKALDLR-----VPINLT-PP--PSHMPVYLSEDEAKRLIEAASS----DTRMYAIVSVLAYTGVRVGELCNLKISDVDLQESIINVRS---DKDRIVIMAEECVKALGSYLDLRLSM--DTDNDYLFVSNRRVRFDTSTIERMIRDLGKKAGIQKKVTPHVLRHTFATSVLRNGGDIRFIQQILGHASVATTQIYTHLNDSALREMYTQHRPR-

General information: TITO was launched using: RESULT: Template: 5HXY.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1056 -30204 -28.60 -111.04 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -28.60 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.603

(partial model without unconserved sides chains): PDB file : Tito_5HXY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HXY-query.scw PDB file : Tito_Scwrl_5HXY.pdb: