Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIPVKKNLVSEAKYALKCPNAMSAEYITIHNTANDASAANEISYMIGNTSSTSFHFAVDDQEVIQGLPLNRNAWHTGDGTNGPGNRKSIGVEICYSKSGGPKYEAAEALAISFVAQLLKERGWGIDRVRKHQDWSGKYCPHRILSEGRWDQVKAAIEKELNGGVSAKKAAVSSSASEYHVKKGDTLSGIAASHGASVKTLQSINHITDPNHIKIGQVIKLPQTASASKSHAASSYPLPSGVIKVTSPLTQGTKVKQVQTALAALYFYPDKGAKNHGVDGVYGPKTANAVKRFQSVSGLTADGIYGPKTKAKMEEKL 2AR3 Chain:B ((1-159)) --MEIRKKLVVPSKYGTKCPYTMKPKYITVHNTYNDAPAENEVNYMITNNNEVSFHVAVDDKQAIQGIPWERNAWACGDG-NGPGNRESISVAICYSKSGGDRYYKAENNAVDVVRQLMSMYNIPIENVRTHQSWSGKYCPHRMLAEGRWG---AFIQKVKSGNV--------------------------------------------------------------------------------------------------------------------------------------------------------

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 B - contact count / total energy / energy per contact / energy per residue : 873 -64147 -73.48 -403.44 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : -73.48 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.533

(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: