Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLPADDELAASEGSSHRQRQPQCRSGIEGDSTSSSRNDAGNSVNSGSRSSSGGGDRGATARGPFVDMEGSSGEANVPIGRTLSDDGQPQNARPRSEDPPAMASLLSRHCLDDAVAVDTVEGGDSTDNVDDVRPGSPFLHRRNRLRGPPNATVMAPDAASRRAAGSRHSSKVDLLEAQEDPPMLSSRQRLLRPVSSDSIVFSIVSSNSSGDELDGQGSEAARARLHAGDGDDVSSLLPSTSALSGPASSNALLCPRTVYDADDNGSGTGKDGVDSGADSMHSSPVAVTLWGVDRDLRRKRIKKVSHYILGPLLGEGSYGVVRDCIDLNTDNADRRFSRCAIKIINGNYAKLDTSAAKPSKASSTLAAATEDGTDGGARAGTRGTLKRTSGIQYRREEDLKRQETFQREMRNLQRFHSKNIIRALDAFTRYSKEYVVMPIAICSLRQLVQQMLRTRWREAVREWRRAQRRLQRKQRHKRGHFATSVSGDQTQTPSQPSPWLPMVPSAVEELDMDELAFMTDGERDGGDDTDGISASQPHSSSDGDDGVAAERDSEASMVDHDEESQRQHSATSSVTATAVGGRVAAAAAAVSERGPSGQSRLPPRVAFNGASSTATTTHIIDRYTSHSNGSPPSQSPRQRSGEHFPTFAGGHHHGGGNGSWGDDVSDGSSASTTGAHNGITVMSATPPALSTAELPMECDDLVGSGANGADGRPPATVSPAPAPAASTQHIRPHMSL----PVCSPTLLKGIFYQLMSGVAYLHQQHLAHNDIKPSNVLLFEDG-------------TVKLADLGSVSDTY-----------NDQGSPLCASPELCKYFYGAATPPASFSQSAQHVGRDAAQSSDMWCCGLMLYYLIT-GKPGPLPVQLRYFRALNSKQAHQPFRPFAPHGDSGRAALPPVVTRYQLYREIAQQTTPVDLGGLPDMVAPDVGNDVLLSSSPMLAKGEAPHGDSVDDAATSSYPPNGVRHLLAGLLELDPLRRLTAEQALRHPWLRMAFRSKTSETSSSNTISQT-SAPNSNGGQQDDAQNQQQQLKAPSKQAMEEAIQRDVAR-RVMESRHVQHMLRLDRQRHLQFVADCCNMLNLAIPPEIIKVHPEAPYHEDNGASVCSSSPPALQVYRPNSMAAAAAAVSGRNTRLGRPSAGANAPGPRGSTGGSEWSVTSRNSHNSAVAGIVLRDDMRPRVMPPGCVDTDLFLPPSEEDYYEQKSGKAEFDVRVLRRKPLLMAQLDEYFHNVVLVQCGYRTGPDPNYQAMRLRAVPIEDESGGGGSGGSQGGTQQPAVMILPGACGNVCRRSTSLGLSSMPVAAALAGNSSDDGGTDGANSRGGSVDVWAAGPRHNPRTHVDDHREVVAAASSAGAVAGRGANLSRTSAAAGRSLIGTSPPGAAAPSRPSAAGGTGSRAPDAGSHPILYCGRGSTGGSGNGSASRRVAGRGRGRGQRDASESPSEEEANVAMRESSKCLCGLV 3SDJ Chain:K ((100-419)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RFLYIALELC-NLNLQDLVESKNVSDENLKLQKEYNPISLLRQIASGVAHLHSLKIIHRDLKPQNILVSTSSRFTADQQTGAENLRILISDFGLCKKLDSGQSSFRTNLNNPSGTSGWRAPELLEEST----------------KRRLTRSIDIFSMGCVFYYILSKGKHP--------FGDKYSR-------------------------ESNIIRGIFS------LDEMKC----------------------------L---HDRS-LIAEATDLISQMIDHDPLKRPTAMKVLRHPLFWPKSKKLEFLLKVSDRLEIENRDPPSALLMKFDAGSDFVIPSGDWTVKFDKTFMDNLERYRKYHSSKLMDLLRALRNKYHNFM---------DLPEDIAELMGPVPDGFYDYFTK----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3SDJ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain K - contact count / total energy / energy per contact / energy per residue : 1111 18680 16.81 64.63 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain K : 0.59 3D Compatibility (PKB) : 16.81 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.281

(partial model without unconserved sides chains): PDB file : Tito_3SDJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3SDJ-query.scw PDB file : Tito_Scwrl_3SDJ.pdb: