Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKIQFFDTTLRDGEQTPGVNFDVKEKIQIALQLEKLGIDVIEAGFPISSPGDFECVKAIAKAIKHCSVTGLARCVEGDIDRAEEALKDAVSPQIHIFLATSDVHMEYKLKMSRAEVLASIKHHISYARQKFEVVQFSPEDATRSDRAFLIEAVQTAIDAGATVINIPDTVGYTNPTEFGQLFQDLRREIKQFDDITFASHCHDDLGMATANALAAIENGARRVEGTINGIGERAGNTALEEVAVALHIRKDFYQAETNIVLNQFKNSSDLISRLSGMPVPRNKAVIGGNAYAHESGIHQDGVLKNPDTYEIITPALVGVDKNSLPLGKLSGKHAFNTRMEEMGYTLTEQEQKDAFKRFKQLADAKKEVTEEDLHALILGQSSESADDFELKHLQVQYVTGGVQGAIVRIEERDGALVEDAATGSGSIEAIYNTINRLMKQDIELTDYRIQAITAGQDAQAEVHVVIKNDKGAEFHGIGIDFDVLTASAKAYLQASGKSKTASKQADFEEVK |
3IVU Chain:A ((37-393)) | VNNFSIIESTLREGEQFANAFFDTEKKIQIAKALDNFGVDYIELTSPVASEQSRQDCEAICKLGLKCKILTHIRCHMDDARVAVETGVDGVD----VVIGTSQYLRKYSH--DMTYIIDSATEVINFVKSKGIEVRFSSEDSFRSDLVDLLSLYKAVDKIGVNRVGIADTVGCATPRQVYDLIRTLRGVVS----CDIECHFHNDTGMAIANAYCALEAGATHIDTSILGIGERNGITPLGALLARMYVTDREYITH-KYKLNQLRELENLVADAVEVQIPFNNYITGMCAFTHKAGI---------STYEILKPEDFGMSRYVHVGSRLTGWNAIKSRAEQLNLHLTDAQAKELTVRIKKLADVR-------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3IVU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -102019 for 2849 contacts (-35.8/contact) +
2D Compatibility (PS) -37648 + (NN) -14432 + (LL) 11616
1D Compatibility (HY) -19600 + (ID) 5450
Total energy: -167533.0 ( -58.80 by residue)
QMean score : 0.425
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