Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSRSSPKSPASDGAHRYAHVNVNKPSSYWDYDSLRVQWNSPDRYEVVQKIGRGKYSDVFLGVDTKVPRQVVIKVLKPVKKKKILRELMVLQTLKGGPNIVDLFDVVREPNSKTPSFVFEYVKSCDFRTVFPTFTDLEVRSYIFQVLMALEYAHSHGIMHRDVKPNNVCLDYKTGKLKLIDWGLAEFYHPATSYNARVASRYFKGPELLVELPMYDYRLDMWSLGCMLAAMIFIREPFFRGKDNTDQLVRIVKVLGTDDLQVYLKKHNASLPPVLEATLGYHAKKPWRSFVNGQNEHLCPPEALAFLDKLLQYDHMKRIQAAEAMMDPYFDPVRPKDFTLDGITVAAENGGGGASVCNEENVHEKRVPRIES 5OTR Chain:A ((2-323)) --------GPVPSRARVYTDVNTHRPSEYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVAAAKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYF------------------------------------------

General information: TITO was launched using: RESULT: Template: 5OTR.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 : 1643 -206533 -125.70 -641.41 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -125.70 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.508

(partial model without unconserved sides chains): PDB file : Tito_5OTR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5OTR-query.scw PDB file : Tito_Scwrl_5OTR.pdb: