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

General information: TITO was launched using: RESULT: Template: 1RRS.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 : 1455 -146541 -100.72 -468.18 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -100.72 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.450

(partial model without unconserved sides chains): PDB file : Tito_1RRS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1RRS-query.scw PDB file : Tito_Scwrl_1RRS.pdb: