Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSRSSPKSPASDGAHRYAHVNVNKPSSYWDYDSLRVQWNSPDRYEVVQKIGRGKYSDVFLGVDTKVPRQVVIKVLKPVKKKKILRELMVLQTLKGGPNIVDLFDVVREPNSKTPSFVFEYVKSCDFRTVFPTFTDLEVRSYIFQVLMALEYAHSHGIMHRDVKPNNVCLDYKTGKLKLIDWGLAEFYHPATSYNARVASRYFKGPELLVELPMYDYRLDMWSLGCMLAAMIFIREPFFRGKDNTDQLVRIVKVLGTDDLQVYLKKHNASLPPVLEATLGYHAKKPWRSFVNGQNEHLCPPEALAFLDKLLQYDHMKRIQAAEAMMDPYFDPVRPKDFTLDGITVAAENGGGGASVCNEENVHEKRVPRIES 1M2R Chain:A ((3-325)) --------------ARVYADVNVLRPKEYWDYEALTVQWGEQDDYEVVRKVGRGKYSEVFEGINVNNNEKCIIKILKPVKKKKIKREIKILQNLCGGPNIVKLLDIVRDQHSKTPSLIFEYVNNTDFKVLYPTLTDYDIRYYIYELLKALDYCHSQGIMHRDVKPHNVMIDHELRKLRLIDWGLAEFYHPGKEYNVRVASRYFKGPELLVDLQDYDYSLDMWSLGCMFAGMIFRKEPFFYGHDNHDQLVKIAKVLGTDGLNVYLNKYRIELDPQLEALVGRHSRKPWLKFMNADNQHLVSPEAIDFLDKLLRYDHQERLTALEAMTHPYFQQVRAAE-----------------------------------

General information: TITO was launched using: RESULT: Template: 1M2R.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 : 1661 -218019 -131.26 -674.98 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -131.26 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.526

(partial model without unconserved sides chains): PDB file : Tito_1M2R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1M2R-query.scw PDB file : Tito_Scwrl_1M2R.pdb: