Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSVHQLQGVGSASAALLEKLNIFTTDDLLFHLPRDYEDRSTIIPMNQLMVGRTYLLEGEVKSVDFPPGKRKSMAALIQDEFGKVTLRFYHIYKNLTDKIKPGNRLRIFGEVRVGARGLELYHPEIQLINEHTTLPKTQLTAIYPSTDGLTQAKLREYVKQALKHHSDALPELLPKQYTNGYALKEALHYIHEPPIDANMIQLAQDSHPAQQRLIFEELVAHQISLLTRRAYIRQIASPAFPSSKVLAKKLLEALPFQMTNAQKRVSKEILNDLKQHQPMLRLVQGDVGAGKTLVAAVAACHALEADWQVALMAPTEILAEQHYLNFKRWFEPLGITVAWLSGKQKGKARAHAERQIKEGHAELIVGTHALFQDNVEFAKLGLVIIDEQHRFGVDQRLALRNK----G---AEQLTPHQLVMTATPIPRTLAMSAYGDLDTSIIDELPPGRTPIQTVTIPLD-------RREEVLQRIASNCREGKQAYWVCTLVEQSETLDA----------------------------------------------------QAAEATYQEMKERFPELNIGLVHGKMKADEKQAVMQAFKNNELQLLIATTVIEVGVDVPNASIMVIENAERLGL------------SQLHQLRGRVGRGAKASFCVLLYKPPLSQNGQERLSILRESNDGFVIAEKDLELRGPGELLGTKQTGDMGFR-VARLERDDHLLSQAHYVAQQVLKDYPEQADALLKRWLPEAPRYAYV 4NL4 Chain:H ((210-685)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ERLRLNTEQATAVGAIHSAA--DRFSAWLLAGITGSGKTEVYLSVLENVLAQGRQALVMVPEIGLTPQTIARFRQRF---NAPVEVLHSGLNDSERLSAWLKAKNGEAAIVIGTRSSLFT--PFKDLGVIVIDEEHDSSYKQQEGWRYHARDLAVWRAHSEQIPIILGSATPALETLHNVRQGKYRQLTLSK------PAQQHVLDLKGQPLQAGLSPALISRMRQHLQADNQVILFLNRRGFAPALLCHDCGWIAECPRCDSYYTLHQAQHHLRCHHCDSQRPIPRQCPSCGSTHLVPVGIGTEQLEQALAPLFPEVPISRIDR---------HLAAVHRGGARILIGTQMLAKGHHFPDVTLVSLLDVDG-ALFSADFRSAERFAQLYTQVSGRAGRAGKQGEVILQTHHP-EHPLLQT--LLYKGYDAFA--EQALAER--------QTMQLPPWTSHVLIRAEDHNNQQAPLFLQQLRN-----------------------

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 : 1781 -48000 -26.95 -130.43 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain H : 0.61 3D Compatibility (PKB) : -26.95 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.474

(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: