Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKIQFFDTTLRDGEQTPGVNFDVKEKIQIALQLEKLGIDVIEAGFPISSPGDFECVKAIAKAIKHCSVTGLARCVEGDIDRAEEALKDAVSPQIHIFLATSDVHMEYKLKMSRAEVLASIKHHISYARQKFE--VVQFSPEDATRSDRAFLIEAVQTAIDAGATVINIPDTVGYTNPTEFGQLFQDLRREIKQFDDITFASHCHDDLGMATANALAAIENGARRVEGTINGIGERAGNTALEEVAVALHIRKDFYQAETNIVLNQFKNSSDLISRLSGMPVPRNKAVIGGNAYAHESGIHQDGVLKNPDTYEIITPALVGVDKNSLPLGKLSGKHAFNTRMEEMGYTLTEQEQKDAFKRFKQLADAKKEVTEEDLHALILGQSSESADDFELKHLQVQYVTGGVQGAIVRIEERDGALVEDAATGSGSIEAIYNTINRLMKQDIELTDYRIQAITAGQDAQAEVHVVIKNDKGAEFHGIGIDFDVLTASAKAYLQASGKSKTASKQADFEEVK |
3A9I Chain:A ((2-366)) | -REWKIIDSTLREGEQFEKANFSTQDKVEIAKALDEFGIEYIEVTTPVASPQSRKDAEVLASLGLKAKVVTHIQC---RLDAAKVAVETGVQGIDLLFGTSKYL------DIPR--IIEEAKEVIAYIREAAPHVEVRFSAEDTFRSEEQDLL-AVYEAVAPYVDRVGLADTVGVATPRQVYALVREVRRVVGPRVDIEF--HGHNDTGCAIANAYEAIEAGATHVDTTILGIGERNGITPLGGFLARMYTLQPEY-VRRKYKLEMLPELDRMVARMVGVEIPFNNYITGETAFSHKAGMHLKAIYINPEAYEPYPPEVFGVK----------------------GLHYGEEELHRVTQHIKALAD-RGQLTLEEL------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3A9I.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -112763 for 2796 contacts (-40.3/contact) +
2D Compatibility (PS) -36717 + (NN) -19625 + (LL) 12984
1D Compatibility (HY) -20400 + (ID) 5350
Total energy: -181871.0 ( -65.05 by residue)
QMean score : 0.423
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