Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDHLKHLQQLQNIERIVLSGIVLANHKIEEIHSVLEPSDFYYPPHGLFFEIALKLHEVNCPIDENFIRQKMPKDKQISEDDLVAIF-----AASPIDNIEAYVEEIKNASIKRKLFTLANTIREQALESAQKSSDILNAVEREVYALLNGSTIEGFRGIKEVLESTM-NLITENQRKGSLKVTGIPTGFVQLDNYTSGFNQGSLVILGARPSMGKTSLMMNMVLS-ALNDDRGVAVFSLEMSAEQLALRALSDLTSINMHDLESARLDDDQWENLAKCFDHLSQKKLFFYDKSYVRMDQIRLQLRKLKSQHKELGIAFIDYLQLMSGNKATKE-RHEQIAEISRELKTLARELEIPIIALVQLNRSLENRDDKRPILSDIKDSGGIEQDADIVLFLYRGYIYQMRAEDNKIDKL----KKEGKVEEAQELHLK-----VNEERRIHKQNGSIEEAEIIVAKNRNGATGTVYTRFNAPFTRYEDMPVDSHLEEGQETKFEMPTT |
4ESV Chain:B ((17-444)) | -------------EQAVLGAVFLDPAALVPASEILIPEDFYRAAHQKIFHAMLRVADRGEPVDLVTVTAELAASEQLEEIGGVSYLSELADAVPTAANVEYYARIVEEKSVLRRLIRTATSIAQDGYTREDEIDVLLDEADRKIMEVSQRKHSGAFKNIKDILVQTYDNIEMLHN--G--EITGIPTGFTELDRMTSGFQRSDLIIVAARPSVGKTAFALNIAQNVATKTNENVAIFSLEMSAQQLVMRMLCAEGNINAQNLRTGKLTPEDWGKLTMAMGSLSNAGIYIDDTPSIRVSDIRAKCRRLK-QESGLGMIVIDYLQLIQGSGRSKENRQQEVSEISRSLKALARELEVPVIALSQLSR--------RPMMSDIRESGSIEQDADIVAFLYRDDYYNKDSENKNIIEIIIAKQRNGPVGTVQLAFIKEYNKFVNLERRF---------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4ESV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -174938 for 2914 contacts (-60.0/contact) +
2D Compatibility (PS) -43275 + (NN) -20028 + (LL) 5232
1D Compatibility (HY) -31600 + (ID) 7500
Total energy: -272109.0 ( -93.38 by residue)
QMean score : 0.442
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