Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDVNNVELIISAVRPEQYPETDLPEYALAGRSNVGKSSFINTMIRRKSMARISQKPGKTQTLNFYKI----EEALFFVDVPGYGFAKVSKTEREKWGVMIETYITSREQLRGVIQIVDLRHKPTEDDRMMYEFLKYYDIPVIVIATKADKIPRSKWQKNAKIVRETLDFDPDDKFV------LFSSETKMGKDEAWQFIKEGME
4DHE Chain:A ((25-207))
------------------PPTVQPEIAFAGRSNAGKSTAINVLCNQKRLAFASKTPGRTQHINYFSVGPAAEPVAHLVDLPGYGYAEVPGAAKAHWEQLLSSYLQTRPQLCGMILMMDARRPLTELDRRMIEWFAPTGKPIHSLLTKCDKLTRQESINALRATQKSLDAYRDAGYAGKLTVQLFSALKRTGLDDAHALIES---
General information:
TITO was launched using:
RESULT:
Template:
4DHE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -68856 for 1215 contacts (-56.7/contact) +
2D Compatibility (PS) -18244 + (NN) -476 + (LL) 1768
1D Compatibility (HY) -7200 + (ID) 3150
Total energy: -96158.0 ( -79.14 by residue)
QMean score : 0.468
(partial model without unconserved sides chains):
PDB file :
Tito_4DHE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4DHE-query.scw
PDB file :
Tito_Scwrl_4DHE.pdb
: