Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTITPKPDSVVYRVRVAVPVHLYDTFDYTLTKAQYERAQVGSRVAISFGRQNLIGIITEKVDPQESFTGNFQLKAISELLDDEPILDEQVLNLLTWSAQYYQFPIGEVMQTALPALLRQGKPMDVLFHLWKIIPCDNAEAL----LKRSIKQQDAYQILKLHPAGTTENILNLSGVETATLKALQKKGLVDCTLEPHDFSPAPVQLAQMPLTLNEDQKKATQHVLNAQHQYQAFLLDGLTGSGKTEVYLHIMHEVLKQGKQVLVLVPEIGLTPQTISRFKSRFNCDIALLHSGLNDSKRLQAWQQAQTGKASIILGTRSAIYTPLPRLGLIILDEEHDLSYKQQEGFRYHARDVALYRGHLQGCPVLLGSATPSIDSYHLVETGKLTALQLNQRAGHALLPKMHLIDLKIVKKQHGISQPLIEQIKNTLARKEQVLIFLNRRGYAPVLVCESCGWQANCPHCDAHFTLHTQPYSYLHCHHCGTVHRLPDHCPECQQKSLKTLGAGTAKVEEHLQELFPDHDVIRVDRDSTSRVGSWQKIYDRIQQNKPSILLGTQMLAKGHHFPHVTLVAILDIDAGLLSVDIRAPERTAQLIVQVAGRAGRGEHKGHVYLQTLRPDHPLLTTLIEKDYRAVAKQTLAERKVALLPPYRYAVLIRAESKDRDYTLHFLNEAAEQLRQ--IAGGIVDIWGPIPAPMERKAGRYRAHMVILSADRTRLHFYLRQWWAQLVHAPRQHQLRLSIDVDPQEFS 4NL4 Chain:H ((18-747)) -----------SVAHVALPVPLPRTFDYLLPEGM--AVKAGCRVRVPFGKQERIGIVAAVSERSE--LPLDELKPVAEALDDEPVFSTTVWRLLMWAAEYYHHPIGDVLFHALPVMLRQGKPASAT-PLWYWFATEQGQVVDLNGLKRSRKQQQALAALRQGK--IWRHQVGELEFNEAALQALRGKGLAELACEATDWRSAY-SVAGERLRLNTEQATAVGAIHSAADRFSAWLLAGITGSGKTEVYLSVLENVLAQGRQALVMVPEIGLTPQTIARFRQRFNAPVEVLHSGLNDSERLSAWLKAKNGEAAIVIGTRSSLFTPFKDLGVIVIDEEHDSSYKQQEGWRYHARDLAVWRAHSEQIPIILGSATPALETLHNVRQGKYRQLTLSKP------AQQHVLDLKGQPLQAGLSPALISRMRQHLQADNQVILFLNRRGFAPALLCHDCGWIAECPRCDSYYTLHQAQH-HLRCHHCDSQRPIPRQCPSCGSTHLVPVGIGTEQLEQALAPLFPEVPISRIDRHLAA-----------VHRGGARILIGTQMLAKGHHFPDVTLVSLLDVDGALFSADFRSAERFAQLYTQVSGRAGRAGKQGEVILQTHHPEHPLLQTLLYKGYDAFAEQALAERQTMQLPPWTSHVLIRAEDHNNQQAPLFLQQLRNLLQASPLADEKLWVLGPVPAL--------RWQILLQHPSRVRLQHIVSGTLALINTLPEAW----VLDVDPIEG-

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 : 3588 -60843 -16.96 -87.92 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain H : 0.81 3D Compatibility (PKB) : -16.96 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.577

(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: