Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKIQFFDTTLRDGEQTPGVNFDVKEKIQIALQLEKLGIDVIEAGFPISSPGDFECVKAIAKAIKHCSVTGLARCVEGDIDRAEEALKDAVSPQIHIFLATSDVHMEYKLKMSRAEVLASIKHHISYARQKFEVVQFSPEDATRSDRAFLIEAVQTAIDAGATVINIPDTVGYTNPTEFGQLFQDLRREIKQFDDITFASHCHDDLGMATANALAAIENGARRVEGTINGIGERAGNTALEEVAVALHIRKDFYQAETNIVLNQFKNSSDLISRLSGMPVPRNKAVIGGNAYAHESGIHQDGVLKNPDTYEIITPALVGVDKNSLPLGKLSGKHAFNTRMEEMGYTLTEQEQKDAFKRFKQLADAKKEVTEEDLHALILGQSSESADDFELKHLQVQYVTGGVQGAIVRIEERDGALVEDAATGSGSIEAIYNTINRLMKQDIELTDYRIQAITAGQDAQAEVHVVIKNDKGAEFHGIGIDFDVLTASAKAYLQASGKSKTASKQADFEEVK |
3EWB Chain:X ((1-275)) | LKKIQFFDTTLRDGE-----NFDVKEKIQIALQLEKLGIDVIEAGFPISSPGDFECVKAIAKAIKHCSVTGLARCVEGDIDRAEEALKDAVSPQIHIFLATSDVHMEYKLKMSRAEVLASIKHHISYARQKFDVVQFSPEDATRSDRAFLIEAVQTAIDAGATVINIPDTVGYTNPTEFGQLFQDLRREIKQFDDIIFASHCHDDLGMATANALAAIENGARRVEGTINGIGERAGNTALEEVAVALHIRKDFYQAETNIVLNQFKNSSDLISRL--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3EWB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -38290 for 2399 contacts (-16.0/contact) +
2D Compatibility (PS) -28189 + (NN) -5618 + (LL) 15464
1D Compatibility (HY) -2800 + (ID) 5200
Total energy: -64633.0 ( -26.94 by residue)
QMean score : 0.273
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