Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIPVKKNLVSEAKYALKCPNAMSAEYITIHNTANDASAANEISYMIGNTSSTSFHFAVDDQEVIQGLPLNRNAWHTGDGTNGPGNRKSIGVEICYSKSGGPKYEAAEALAISFVAQLLKERGWGIDRVRKHQDWSGKYCPHRILSEGRWDQVKAAIEKELNGGVSAKKAAVSSSASEYHVKKGDTLSGIAASHGASVKTLQSINHITDPNHIKIGQVIKLPQTASASKSHAASSYPLPSGVIKVTSPLTQGTKVKQVQTALAALYFYPDKGAKNHGVDGVYGPKTANAVKRFQSVSGLTADGIYGPKTKAKMEEKL 2AR3 Chain:C ((1-157)) --MEIRKKLVVPSKYGTKCPYTMKPKYITVHNTYNDAPAENEVNYMITNNNEVSFHVAVDDKQAIQGIPWERNAWACGDG-NGPGNRESISVAICYSKSGGDRYYKAENNAVDVVRQLMSMYNIPIENVRTHQSWSGKYCPHRMLAEGRWG---AFIQKVKSG----------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2AR3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 880 -63072 -71.67 -401.73 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain C : 0.69 3D Compatibility (PKB) : -71.67 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_2AR3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2AR3-query.scw PDB file : Tito_Scwrl_2AR3.pdb: