Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------METKKEEYETKGYDTSIVYEFNEYPDARSGRCDNCDYTLFKSSVKGGKFLRECRRCGMKKNI--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4NL4 Chain:H ((18-747)) SVAHVALPVPLPRTFDYLLPEGMAVKAGCRVRVPFGKQERIGIVAAVSERSELPLDELKPVAEALDDEPVFSTTVWRLLMWAAEYYHHPIGDVLFHALPVMLRQGKPASATPLWYWFATEQGQVVDLNGLKRSRKQQQALAALRQGKIWRHQVGELEFNEAALQALRGKGLAELACEATDWRSAYSVAGERLRLNTEQATAVGAIHSAADRFSAWLLAGITGSGKTEVYLSVLENVLAQGRQALVMVPEIGLTPQTIARFRQRFNAPVEVLHSGLNDSERLSAWLKAKNGEAAIVIGTRSSLFTPFKDLGVIVIDEEHDSSYKQQEGWRYHARDLAVWRAHSEQIPIILGSATPALETLHNVRQGKYRQLTLSKPAQQHVLDLKGQPLQAGLSPALISRMRQHLQADNQVILFLNRR-------GFAPALLC-HDCGWIAECPRCDS-YYTLHQAQ----HHLR-CHHCDSQRPIPRQCPSCGSTHLVPVGIGTEQLEQALAPLFPEVPISRIDRHLAAVHRGGARILIGTQMLAKGHHFPDVTLVSLLDVDGALFSADFRSAERFAQLYTQVSGRAGRAGKQGEVILQTHHPEHPLLQTLLYKGYDAFAEQALAERQTMQLPPWTSHVLIRAEDHNNQQAPLFLQQLRNLLQASPLADEKLWVLGPVPALRWQILLQHPSRVRLQHIVSGTLALINTLPEAWVLDVDPIEG

General information: TITO was launched using: RESULT: Template: 4NL4.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain H - contact count / total energy / energy per contact / energy per residue : 129 -11872 -92.03 -247.33 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain H : 0.52 3D Compatibility (PKB) : -92.03 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.52 QMean score : 0.269

(partial model without unconserved sides chains): PDB file : Tito_4NL4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NL4-query.scw PDB file : Tito_Scwrl_4NL4.pdb: