Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MADNLVIVESPAKAKTIEKYLGKKYKVIASMGHVRDLPRSQMGVDTEDNYEPKYITIRGKGPVVKELKKHAKKAKNVFLASDPDREGEAIAWHLSKILELEDSKENRVVFNEITKDAVKESFKNPREIEMNLVDAQQARRILDRLVGYNISPVLWKKV-KKGLSAGRVQSVALRLVIDRENEIRNFKPEEYWTIEGEFRYKKSKFNAKFLHYKNKPFKLKTKKDVEKITAALDGDQFEITNVTKKEKTRNPANPFTTSTLQQEAARKLNFKARKTMMVAQQLYEGIDLKKQGTIGLITYMRTDSTRISDTAKAEAKQYITDKYGESYTSKRKASGKQGDQDAHEAIRPSSTM--RTPDDMKSF-----LTKDQYRLYKLIWERFVASQMAPAILDTVSLDITQGDIKFRANGQTIKFKGFMTLYVETKDDSDSEKENKLPKLEQGDKVTATQIEPAQHYTQPPPRYTEARLVKTLEELKIGRPSTYAPTIDTIQKRNYVKL-ESKRFVPTELGEIVHEQVKEYFPEIIDVEFTVNMETLLDKIAEGDITWRKVIDGFFSSFKQDVERAEEEMEKIEIKDEPAGEDCEVCGSPMVIKMGRYGKFMACSNFPDCRNTKAIVKSIGVKCPKCNDGDVVERKSKKNRVFYGCSKYPECDFISWDKPIGRDCPKCNQYLVENKKGKTTQVICSNCDYKEAAQK |
| 4DDU Chain:A ((2-1103)) | AVNSKYHHSCINCGGLNTDERNERGLPCEVCLPEDSPSDIYRALLERKTLKEYRFYHEFWNEYEDFRSFFKKKFGKDLTGYQRLWAKRIVQGKSFTMVAPTGVGKTTFGMMTALWLARKGKKSALVFPTVTLVKQTLERLQKLADEKVKIFGFYSSMKKEEKEKFEKSFEEDDYHILVFSTQFVSKNREKLSQKRFDFVFVDDVDAVLKASRNIDTLLMMVGIPEEIIRKAFSTIKQGKIYERPKNLKPGILVVSSATAKPRGIRPLLFRDLLNFTVGRLVSVARNITHVRISSRSKEKLVELLEIFRDGILIFAQTEEEGKELYEYLKRFKFNVGETWSEFEKNFEDFKVGKINILIGVQAYYGKLTRGVDLPERIKYVIFWGTPSMRFSLELDKAPRFVLARVLKEMGLIKAQENPDVEELRKIAKEHLTQKEFVEKVKEMFRGVVVKDEDLELIIPDVYTYIQASGRSSRILNGVLVKGVSVIFEEDEEIFESLKTRLLLIAEEEIIEEAEANWKELVHEVEESRRRSERELTDTSRSLLIIVESPTKAETLSRFLGRASSRKERNIIVHEAVTGEGVILFTATRGHVYDLVTKGGIHGVEEENGKFVPVYNSLKRCRDC-GYQFTEDRDECPVCSSKNIDDKTETLRALREISLEADEILVATDPDVEGEKISWDVTQYLLPSTRSLRRIEMHEITRYGFKKARESVRFVDFNLVKAQIVRRVQDRWIGFELSGKLQKRFGRSNLSAGRVQSTVLGWIVEREEE-----------------YKKSEKDFTLLVLENGV--------NLEVEGKIADDVVTVVELQEAEEEKNPLPPYTTSSALSEISQKLRLGVQEVMDILQDLFEK---------GFITYHRTDSTRISLEGQNVARTYLRKIGKEDIFMGRSWS----TEGAHEAIRPVKPIDARELEEMIEEGLIADLTKKHLRVYELIFNRFLASQSAA-------VKVKKQIVTVDVDGKRMGIEQIVEILRDGWNLFVPLTVS--PRFEH-RTYKIKEKKFYKKHTVPL--FTQASIVEEMKKRGIGRPSTYAKIVEVLFRRGYVYEDKYKRVRPTRFGVMVYSYLKERYEKYVTEETTRRLEEIMDKVERGE-----------EDYQATLRLLYEEIKSLMEE------------------------------------------------------------------------------------------------------------------------ |
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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) -1924 for 4013 contacts (-0.5/contact) +
2D Compatibility (PS) -53756 + (NN) -7122 + (LL) 8968
1D Compatibility (HY) -32400 + (ID) 7450
Total energy: -93684.0 ( -23.35 by residue)
QMean score : 0.402
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