Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPLSRVEELVADIRAGKMVILMDDEDRENEGDLVIAATHVRPEDINFMITHARGLVCLTLSRERCKQLNLPLMVDQNGAQHGTNFTLSIEAAEGITTGISAAERAHTIQAAVAAHAKPTDIVQPGHIFPLMAQPGGVLHRAGHTEAGCDLARLAGLEPASVICEIIKEDGTMARRADLEIFAEKHGLKIGTIADLIHYRMTNEQTVERLDQRTIQTEYGSFELYLYREIGNPDIHLALVKGEPKEGVTTVRVHGFSPVRDLLKLNKADGEPAWNLDRALQTIAASDRGVLVWIGQDHLQDLGPALDDLTKPKPVKSNAALSHQYQTIGVGAQILRDLGVEKMKLLSSPLRFNALSGFNLEVVEYVTADQITTK 3LRJ Chain:A ((12-212)) -PFERVELALDALREGRGVMVLD-----NEGDMIFPAETMTVEQMALTIRHGSGIVCLCITEDRRKQLDLPMMVENNTSAYGTGFTVTIEAAEGVTTGVSAADRVTTVRAAIKDGAKPSDLNRPGHVFPLRAQAGGVLTRGGHTEATIDLMTLAGFKPAGVLCELTNDDGTMARAPECIAFAGQHNMAVVTIEDLVAYRQAH---------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3LRJ.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 : 1061 -143261 -135.02 -730.92 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -135.02 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.647

(partial model without unconserved sides chains): PDB file : Tito_3LRJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LRJ-query.scw PDB file : Tito_Scwrl_3LRJ.pdb: