Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLPELQRSITWIQGTALTIGAVLGCGILILPSVTADTAGPASLFVWVFMSFLSFFLVGTLARLVKIAPSAGGITAYVQLAFQKKAGAILGWIMLGSVPIGVPIIALTGAHYVSYITEAADWQITLIAGCMLAISILLHMRGIQLSANISTLVICVIVFLLVTSIAVSL---PHVTIAEFKPFLPHGWSAAGSVSVMIFF--SFVGWEMITPLAEEFHRPEKDVPLSLFL---AASCVAGLY-IMLSFVTVGTHSYGENGEIASLAMLISKGAGESGVYVTVCLALFI--TFATIHANIAGFSRMVYALAREGHIPVFFGKLSATKRTPIRVLTAMAAVFGLVLAAHGLFQIDLTTLLKGPSAAFIASYICTMAAALKLLGRRDIGWWMALGAFVACAVIYSFSGWALLYPAVLAAAGYFYMKTKGGHKKKLDHVL 4DJI Chain:A ((164-337)) --------------------------------------------------------------------------------------------------------------------------------------------------------ILLPAFILIALAAIYLHSG--AIEMDSKTFFPD-FSKVGTLVVFVAFILSYMGVEASATHVNEMSNPGRDYPLAMLLLMVAAICLSSVGGLSIAMVIPGNEINLSAGVMQTFTVLMSHVAPEIEWTVRVISALLLLGVLAEIASWIVGPSRGMYVTAQKNLLPAAFAKMN-----------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4DJI.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 : 288 -65154 -226.23 -417.65 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.51 3D Compatibility (PKB) : -226.23 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.51 QMean score : 0.102

(partial model without unconserved sides chains): PDB file : Tito_4DJI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DJI-query.scw PDB file : Tito_Scwrl_4DJI.pdb: