Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQLHRRMGTFSLMMVGLGSMIGSGWLFGAWRAAQIAGPAAIISWVIGMVVILFIALSYSELGSMFPEAGGMVKYTQYSHGSFIGFIAGWANWIAIVSVIPVEAVASVQYMSSWPWEWAKWTSGLVKNGTLTGEGLAFASVLLLIYFLLNYWTV---NLFSKANSLITIFKIIIPGLTIGALLFVGFHGENFTGGQSIAPNGWASVLTAVATSGIVFAFNGFQSPINMAGEAKNPGKSIPIAVVGSLFVATVIYVLLQIAFIGAVNPSDIAHGWSHLNFNSPFADLAIALNINWLVIVLYADAFVSPSGTGITYTATTSRMIYGMEKNKYMPSIFGKLH----PIYGVPRQAMFFNLIVSFIFLF---LFRGWGVLAEIISVATLISYITGPITVMTLRRTGKDLYRPLRLKGLNVIAPLGFIFASLVLYWARWPLTGQVLFIILIGLPIYFYYQAKAKWKGFGRNFKAGVWMVFYLLAMMVISYLGSDKFGGLNVIHYGWDMVLIAMVSLVFYVWALKSGYQTEYLKDAKEINSQLLNGQSEAAAGKE 4DJK Chain:A ((12-501)) ------QLTLLGFFAITASMVMA---VYEYPTFATSGFSLVFFLLLGGILWFIPVGLCAAEMATVDG--WGVFAWVSNTLGPRWGFAAISFGYLQIAIGFIPMLYFVLGALSY-----------ILKWPALNEDPITKTIAALIILWALALTQFGGTKYTARIAKVGFFAGILLPAFILIALAAIYL--------HTFFPD-FSKVGTLVVFVAFILSYMGVEASATHVNEMSNPGRDYPLAMLLLMVAAICLSSVGGLSIAMVIPGNEINLSAGVMQTFTVLMS-HVAPEIEWTVRVISALLLLGVLAEIASWIVGPSRGMYVTAQKNLLPAAFAKMNKNGVPVTLVISQLVITSIALIILTNTGGGNNMSFLIALALTVVIYLCAYFMLFIGYIVLVLKHPDLKRTFNIPG------------------------------------------------GKGVKLVVAIVGLLTSIMAFIVSFLPPDNIQGDSTDMYV-ELLVVSFLVVLALPFILYAVHFFLHPRARSP-----------------

General information: TITO was launched using: RESULT: Template: 4DJK.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 : 2401 -407669 -169.79 -924.42 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -169.79 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.320

(partial model without unconserved sides chains): PDB file : Tito_4DJK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DJK-query.scw PDB file : Tito_Scwrl_4DJK.pdb: