Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSRSSPKSPASDGAHRYAHVNVNKPSSYWDYDSLRVQWNSPDRYEVVQKIGRGKYSDVFLGVDTKVPRQVVIKVLK---PVKKKKILRELMVLQTLKGGPNIVDLFDVVREPNSKTPS----FVFEYVKSCDFRTVFP-TFTDLEVRSYIFQVLMALEYAHSH-GIMHRDVKPNNVCLD-YKTGKLKLIDWGLAEFYHPAT-----SYNARVASRYFKGPELLVELP--MYDYRLDMWSLGCMLAAMIF-IREPFFRGKDNTDQLVRIVKVLGTDDLQVYLKKHNASLPPVLEATLGYHAKKPWRSFV--NGQNEHLCPPEALAFLDKLLQYDHMKRIQAAEAMMDPYFDPVRPKDFTLDGITVAAENGGGGASVCNEENVHEKRVPRIES- 1LR4 Chain:A ((2-328)) SKARVYADVNVLRP----KEYWDYEALTVQWG------E--QDDYEVVRKVGRGKYSEVFEGINVNNNEKCIIKILKPVK---KKKIKREIKILQNLCGGPNIVKLLDIVRDQ----HSKTPSLIFEYVNNTDFKVLYPT-LTDYDIRYYIYELLKALDYCHS-QGIMHRDVKPHNVMIDH-ELRKLRLIDWGLAEFY-HPGKEYNV----RVASRYFKGPELLVDLQDY--DYSLDMWSLGCMFAGMIFR-KEPFFYGHDNHDQLVKIAKVLGTDGLNVYLNKYRIELDPQLEALVGRHSRKPWLKFMNA--DNQHLVSPEAIDFLDKLLRYDHQERLTALEAMTHPYFQQVRAAEN----------------------------------S

General information: TITO was launched using: RESULT: Template: 1LR4.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 : 1470 -23459 -15.96 -76.66 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -15.96 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.476

(partial model without unconserved sides chains): PDB file : Tito_1LR4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1LR4-query.scw PDB file : Tito_Scwrl_1LR4.pdb: