Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQEVKSGKVLSPSTPWTQRPVPGIEVADEQQTLKATFTEPTIECPECHALVTRTAISFNAYVCPQCDEHLRMKARDRLNWFFDNVVAELGQEFSAKDPLKFVDSKPYPDRMREAQTKTGETEALIAMQGNLNGVDMIACAFEFDFMAGSMGTVVGDRFVKAAELAIEKRQPLICFAASGGARMQEGMLSLMQMARTSAAIQKLKDTGLPYIVVLTHPVYGGVTASLAMLGDIHIAEPKAMIGFAGKRVIEQTVRETLE-EPFQRAEYLLD-HGVVDQIVH-RHALRDTVSRLVSKLMNLP 4G2R Chain:B ((38-214)) ------------------------------------------------------------------------------------------------------------------------DRSGVLAAAGTVNGVRTIAFCTDGTVMGGAMGVEGCTHIVNAYDTAIEDQSPIVGIWHSGGARLAEGVRALHAVGQVFEAMIRAS-GYIPQISVVVGFAAGGAAYG-PALTDVVVMAPESRVFVTGP------------MASLGGPETHHKKSGVCHIVADDELDAYDRGRRLVGLFCQ--

General information: TITO was launched using: RESULT: Template: 4G2R.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 903 -101629 -112.55 -627.34 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : -112.55 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.509

(partial model without unconserved sides chains): PDB file : Tito_4G2R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4G2R-query.scw PDB file : Tito_Scwrl_4G2R.pdb: