Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------MHRQVLILASSQSLFQTVSVMVMTI---GGLAGAN----IANTPTLSTLPIASMFLGT--ALMMFPASILMAHIGRRNGFLFGAFLGVLGGI----IASIGIFYSSLSLLALGTLCVGAYQSFAQFYRFAASEVANDAFRSRAISWVLAGGIVAALIGPTLARFGGPLFQHLEYIGSFLIISIISLVAMGILSSLHIADTVEQKSDFTAGRPWQQIVFQPTYLVALFGAITGYGIMIL------GMTATPIAMRHSHHELGSITTVIQLHVLGMFLPSFFTGNLIARFGVLKIMFAGLLLFACYIGFALSGI------QFTSFAISLILLGVGWNFLFIGSTSLLTGTYSVAEKAKAQAINDMTVFVVGLICSFSAGALLDLFGWKAMNIALIPWLVIAAASLFWLSQKREKQFV 5AYN Chain:A ((7-426)) LRIETQLLLGRLLTRSGDQAWDFVVPFALLVIFPGKLQVAAFYYLIVKIGTFLLTPSSGKWIDTHPRIQVVKWGVWLQFFAILAGMVFFGMLDGLVRAGGRESWLLSVLFIALALSGVMASLGSQITDISVGNDLAPSLVAPEKL-THFNSWLRRIDLATEVGAPILAGALFPL-------AGLFLIGLWNLVSF--VPEYFLLRNVIQRSGLKIKVLTEAINLRGSFSDPIFWLILSYALLWLSVLSPHGVLLAAYLKDEMRLPETEIGLFRGLGAVFGLISTVSFPYLVRRLGLISSSRWHLGFQGVTLGIAVTAFAMGSTASVYVFLGCILLSRVGLYGFSNGEFELRQRLIPEGRRGELNSLSSLTTTSATLILFSAGSLLPQTEDFKYLVYVSLAAVLLANVVFIKWSSR------

General information: TITO was launched using: RESULT: Template: 5AYN.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 : 1668 -182104 -109.17 -486.91 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -109.17 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.251

(partial model without unconserved sides chains): PDB file : Tito_5AYN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5AYN-query.scw PDB file : Tito_Scwrl_5AYN.pdb: