Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQNAVIYQPVQIEYLKKTSDLFSEQQLADSFVLIFHLKGNGYISIGTNTNPLQKKTLYVCPPNETFGFTPAADGHIDACIIRLLSYIKETGQDIFTPCTESELAKLKLMNVSHIENLAVRLQELAALWNESSQLSQLKCVIEVQSLIYDLFTASLSDQTDTHSAIEKTKHYIETHADTKITLAQLSQMAGISAKHYSESFKKWTGQSVTEFITKTRITKAKRLMAKSNCKLKEIAHQTGYQDEFYFSRIFKKYTGCSPTSYMKKRRKKIAAYGRGTMGHLIPLHHIPFAAALHPKWTSYYYQHYSTDIPVQLSAYRFNEKWEENLYTLSQAEPDVIVSMDSISPEEQDRLNRIAEVMYLPS-EESWRTHFLQTASFLKEESEAEKWLADYDQQTTAAKKTLQHVQGLRFLFLRLHKQNFYLAHNRSVREVFFGDLGFS--SATTADTPSEQAISLENIANYQADCMMLFLF---KEPETIAYYQQLQQTEAWQNLSAVRDNRVYLLSLDPWNEYSACGHERIVQQTVSLLSGDCP |
3TNY Chain:A ((88-276)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NVETIASLKPDLIIGNKMRHEKVYEQLKAIAPTVFSETLRGEWKDNFKFYAKALNKEKEGQKVVADYESRMKDLKGKLGDKVNQEISMVRFMPGDVRIYHGDTFSGVILKELGFKRPGDQNKDDFAERNVSKERISAMDGDVLFYFTFDKGNEKKGSELEKEYINDPLFKNLNAVKNGKAYKVDDVIWN----------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3TNY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -76315 for 1239 contacts (-61.6/contact) +
2D Compatibility (PS) -19808 + (NN) -10009 + (LL) 25428
1D Compatibility (HY) -10800 + (ID) 2100
Total energy: -93604.0 ( -75.55 by residue)
QMean score : 0.500
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