Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MKH-----------LIIVESPAKAKTIKNFLDK----------NYEVV---------ASKGHVRDLSKFA--LGIKIDETGFTPNYVVDK-------------------------DHKELVKQIIELSKKASITYIATDEDREGEAIGYHVACLIGGKLESYPRIVFHEITQNAILNVLKTPRKIDMFKVNAQQARRLLDRIVGFKLSSLIASKI-TKGLSAGRVQSAALKLVIDREKEIRP-FKPLTYFTLDALFEPHLEAQLISYKGNKLKAQELIDEKKAQEIKNELEKESYIISSIIKKSKKSPTPPPFMTSTLQQSASSLLGFSPTKTMSIAQKLYEGVATPQGVMGVITYMRTDSLNIAKEALEEARAKILKDYGKDYLPPKAKVYSSKNKNAQEAHEAIRPTSII-------LEPNALKDYLKPEELKLYTLIYKRFLASQMQDALFESQSVVVACE-KGEFKASGRKLLFDGHYKILGNDDKDKLLPNLKENDPIKLEKLESNAHVTEPPARYSEASLIKVLESLGIGRPSTYAPTISLLQNRDYIKVEK-KQISALESAFKVIEILEKHFEEIVDSKFSASLEEELDNIAQNKADYQQVLKDFYYPFMDKIEAGKKNIISQKVHEKTGQSCPKCGGELVKKNSRYGEFIACNNYPKCKYIKQTENANDEAKQELCEKCGGEMVQKFSRNGAFLACNNYPECKNTKSLKNTPNAKETIEGVKCPECGGDIALKRSKKGSFYGCNNYPKCNFLSNHKPINKRCEKCHYLMSERIYRKKKAHECIQCKERVFLEEDNG |
| 4DDU Chain:A ((2-1103)) | AVNSKYHHSCINCGGLNTDERNERGLPCEVCLPEDSPSDIYRALLERKTLKEYRFYHEFWNEYEDFRSFFKKKFGKDLTGYQRLWAKRIVQGKSFTMVAPTGVGKTTFGMMTALWLARKGKKSALVFPTVTLVKQTLERLQKLADEKVKIFGFYSSMKKEEKEKFEKSFEEDDYHILVFSTQFVSKNREKLSQKRFDFVFVDDVDAVLKASRNIDTLLMMVGIPEEIIRKAFSTIKQGKIYERPKNLKPGILVVSSATAKPRGIRPLLFRDLLNFTVGRLVSVARNITHVRISSRSKEKLVELLEIFRDGILIFAQTEEEGKELYEYLKRFKFNVGETWSEFEKNFEDFKVGKINILIGVQAYYGKLTRGVDLPERIKYVIFWGTPSMRFSLELDKAPRFVLARVLKEMGLIKAQENPDVEELRKIAKEHLTQKEFVEKVKEMFRGVVVKDEDLELIIPDVYTYIQASGRSSRILNGVLVKGVSVIFEEDEEIFESLKTRLLLIAEEEIIEEAEANWKELVHEVEESRRRSERELTDTSRSLLIIVESPTKAETLSRFLGRASSRKERNIIVHEAVTGEGVILFTATRGHVYDLVTKGGIHGVEEENGKFVPVYNSLKRCRDCGYQFTEDRDECPVCSSKNIDDKTETLRALREISLEADEILVATDPDVEGEKISWDVTQYLLPSTRSLRRIEMHEITRYGFKKARESVRFVDFNLVKAQIVRRVQDRWIGFELSGKLQKRFGRSNLSAGRVQSTVLGWIVEREEEYKKSEKDFTLLVLE--------------------------NGVNLEVEGKIADDVVTVVELQEAEEEKNPLPPYTTSSALSEISQKLRLGVQEVMDILQDLFEK--------GFITYHRTDSTRISLEGQNVARTYLRKI-------GKEDIFMGRSWSTEGAHEAIRPVKPIDARELEEMIEEGLIADLTKKHLRVYELIFNRFLASQSAAVKVKKQIVTVDVDGKRMGIEQIVEILRDGWNLFVPLTVSPRF-----EHRTYKIKEKKFYKKHTVPL--FTQASIVEEMKKRGIGRPSTYAKIVEVLFRRGYVYEDKYKRVRPTRFGVMVYSYLKERYEKYVTEETTRRLEEIMDKVERGEEDYQATLRLLYEEIKSLMEE-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4DDU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -100401 for 4032 contacts (-24.9/contact) +
2D Compatibility (PS) -53661 + (NN) -7983 + (LL) 11780
1D Compatibility (HY) -29200 + (ID) 8050
Total energy: -187515.0 ( -46.51 by residue)
QMean score : 0.355
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