Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------MVNKQLKKKAQEIGNVPTHYELEI-EDYDQKQKKYGQAYFIWKDPKDPEKHITVELRNDGALLTF-------------STTVHSETDKKLPDAELKL----TALQFAAANHPGTFMNFHFQG--KEERGQHIRFVYTKMEL--GLPIPNSGFLIDMTRSGQIVHFLYYGEGHKAEVPTEFV--------AKEKVVSHYLNTMSF--------------------ELMYDVIDGEQEPRLVYEPILPGYSYPADVDEIVPDQHIADERIENTAPLPPLQNK-----EEVDIFALLGFTS---DMQKVSERDFGEQIGSTWR------RGAAPERKDLSIGSYFETRNKNTIKMKTD--------------------------KRTGKLKAALSFMDWRNNLQCSTEECQEIAL----QFLYALYPRAAEFFRVNPVRI-DERGRVRNHFSVWYKGVPLRFGAARIIVNPETGLIDAFMAPDIEPEQLEAINHR------------PDVSAEEAKEAFLAAFDVKLEWQ--------PDFTAGSDQHCKLVYKPVYPSYIDAHIRKKKRL---- 2QXL Chain:A ((2-656)) TPFGLDLGNNNSVLAVARNRGIDIVVNEVSNRSTPSVVGFGPKNRYLGETGKNKQTSNIKNTVANLKRIIGLDYHHPDFEQESKHFTSKLVELDDKKTGAEVRFAGEKHVFSATQLAAMFIDKVKDTVKQDTKANITDVCIAVPPWYTEEQRYNIADAARIAGLNPVRIVNDVTAAGVSYGIFKTDLPEGEEKPRIVAFVDIGHSSYTCSIMAFKKG-QLKVLGTACDKHFGGRDFDLAITEHFADEFKTKYKIDIRENPKAYNRILTAAEKLKKVLSANTNAPFSVESVMNDVDVSSQLSREELEELVKPLLERVTEPVTKALAQAKLSAEEVDFVEIIGGTTRIPTLKQSISEAFGKPLSTTLNQDEAIAKGAAFICAIHSRPFKFEDIHPYSVSYSWDKQVEDEDHMEVFPAGSSFPSTKLITLNRTGDFSMAASYTDITQLPPNTPEQIANWEITDSVPVKLKLRCDPSGLHTIEEAYTIEDKTVKKDDLTIVAHTFGLDAKKLNELIEKENEMLAQDKLVAETEDRKNTLEEYIYTLRGKLEEEYAPFASDAEKTKLQGMLNKAEEWLYDEGFDSIKAKYIAKYEELASLGNIIRGRYLAKEEEKKQAIRSKQ

General information: TITO was launched using: RESULT: Template: 2QXL.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 : 1698 -108490 -63.89 -240.02 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -63.89 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.168

(partial model without unconserved sides chains): PDB file : Tito_2QXL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QXL-query.scw PDB file : Tito_Scwrl_2QXL.pdb: