Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MANEQTRSSRRQKQPTPKKSVKKNSGKGSGKSSGTHKKGLFIKILLGILSFFCILFLAGVGLFWYYAKDAPELTDKKLDATVSSKLYTQDGELFEDLG---AEKREKISANELPKTLEDAIVSVEDRRFYKHIGVDPIRIIGSALSNFTSG-GLQGGSTLTQQLIKLSFFSTSAEDQTLKRKAQEAWMAVRLEQKKSKQEILTYYVNKVYMSNG----LYGMETASEMYFGKKLSELSLPQTALLAGMPQAPSAYDPYVYPDQAKKRRDTVLYTMLQNEKISQTEYDQAVNVPVTDGLQELTQSDDNTKIVDNYVKEVINEVQE-KTDKNVYTDGLEIYTNLDLDAQKKLYDIVNTDQYVSYP----DDEMQVASTLIDTNTGKVKAQIGGRHIAEDVTLGNNLAVNTSRDFGSTMKPVTDYGPAFEYLK-YSTGKTITDAPYNYE---GTSTPVGNWDNQYM--GTITLRQALYLSRNVPAVKLFNEVGSDKVASFLKNLGIEYS--TIHQSNAISSNTEEQDGTKYGASSLKMAAAYAAFANGGTYYKPQYVNKIVFQDGTEET-YEPDGKTAMSPETAYMITDILKDTITEGTGTNA--QIAGLYQAGKTGTSNYTDDEYAKLGISSGVYPDILFAGYTPNYSISVWTGYNKKMTPVTSESSHVASDVYRELMQYVSANVTNTDWEMPSGLIRVGGELYYKDQYTARSNAITPSTTIPSSSYVQTPGSSTTETTTQSSSSTSQSESTAESSKESTTAETSEPASSTTVPSSSSEESSTPSSSAPPASSSEPATSGADAANDHTPSSSTSASGNR 5HLB Chain:A ((134-717)) ----------------------------------------------------------------------------------QFGFFRLDPRLITMISSPNGEQRLFVPRSGFPDLLVDTLLATEDRHFYEHDGISLYSIGRAVLANLTAGRTVQGASTLTQQLVKNLFLS---SERSYWRKANEAYMALIMDARYSKDRILELYMNEVYLGQSGDNEIRGFPLASLYYFGRPVEELSLDQQALLVGMVKGASIYNPWRNPKLALERRNLVLRLLQQQQIIDQELYDMLSARPLGVQPRGG-----VISPQPAFMQLVRQELQAKLGDKVKDLSGVKIFTTFDSVAQDAAEKAAVEGIPA-LKKQRKLSDLETAIVVVDRFSGEVRAMVGGSEPQ---FAGYNRAMQARRSIGSLAKPAT-YLTALSQPKIYRLNTWIADAPIALRQPNGQVWSPQNDDRRYSESGRVMLVDALTRSMNVPTVNLGMALGLPAVTETWIKLGVPKDQLHPVPAMLLGAL---------NLTPIEVAQAFQTIASGGNRAPLSALRSVIAEDGKVLYQSFPQAERAVPAQAAYLTLWTMQQVVQRGTGRQLGAKYPNLHLAGKTGTTNNN--------------VDTWFAGIDGSTVTITWVGRDNNQP-TKLYGASGAMSIYQRYLANQTP--TPLNLVPPEDIADMGVDYDGNF----------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5HLB.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 : 2924 66572 22.77 118.88 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 22.77 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.378

(partial model without unconserved sides chains): PDB file : Tito_5HLB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HLB-query.scw PDB file : Tito_Scwrl_5HLB.pdb: