Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKEWEKWTDKETKEFQDQFIQWYEQEKRNLPWRYNRDPYRIWISEIMLQQTRVDTVIDYFYRFMEWFPTIEELANAPEEKLLKAWEGLGYYSRARNIQAAAKQIMSEFDGEMPQTPEEISSLKGIGPYTTGAIASIAFGLPEPAVDGNVMRVVSRLFCIEADIAKASSRKIFDEAMRKIIDEKHPGEFNQAMMDLGSAICTPTSPKCETCPIQAFCLANKRGIQTSFPVKTKKAKPKDVYYISAALQNHSGAYYFEERDSQKLLANMWTFPMMEVTQEEYERLKKEWETKPEIDLFDDLVAEEEQNLPFEKQELFVWQTRHLGEVTHIFSHLKWHVLLFYGRATEGAEQEFTENKTSKWLKPDAFDSVVFPKVQMKLVDQLEKNRNNRNPF 1RRQ Chain:A ((12-331)) --------P---AREFQRDLLDWFARERRDLPWRKDRDPYKVWVSEVMLQQTRVETVIPYFEQFIDRFPTLEALADADEDEVLKAWEGLGYYSRVRNLHAAVKEVKTRYGGKVPDDPDEFSRLKGVGPYTVGAVLSLAYGVPEPAVNGNVMRVLSRLFLVTDDIAKCSTRKRFEQIVREIMAYENPGAFNEALIELGALVCTPRRPSCLLCPVQAYCQAFAEGVAEELPVKM----VKQVPLAVAVLADDEGRVLIRKRDSTGLLANLWEFPSCETDGADGK--------------------EKLEQMV----GLQVELTEPIVSFEHAFSHLVWQLTVFPGRLVHGGPVE-----------------------------------------

General information: TITO was launched using: RESULT: Template: 1RRQ.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 : 1447 -150431 -103.96 -482.15 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -103.96 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.464

(partial model without unconserved sides chains): PDB file : Tito_1RRQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1RRQ-query.scw PDB file : Tito_Scwrl_1RRQ.pdb: