Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MCKYKAIIFDMDGVLFDTELFYYKRRERFLKQHGITIDHLPMNFFIGGNMKQVWKSVLGDQYDTWDIDKLQQDYSRYKEDNPLPYKDLIFQDCKRVIEKLHHKGYLLGLASSSTRHDIMLALESFNLDTYFKVILSGEEFSESKPNPAIYNRAAELLDIPKQQILIVEDSEKGITAGIAAGIDVWAIEDKYFGMNQSQANVLVSDLSQFFVKLDNY
3E58 Chain:B ((6-208))
----EAIIFDMDGVLFDTEKYYYDRRASFLGQKGISIDHLPPSFFI-----QVWENILRDEYDKWDVSTLQEEYNTYKQNNPLPYKELIFPDVLKVLNEVKSQGLEIGLASSSVKADIFRALEENRLQGFFDIVLSGEEFKESKPNPEIYLTALKQLNVQASRALIIEDSEKGIAAGVAADVEVWAIRDNEFGMDQSAAKGLLDSLTDVLDLI---
General information:
TITO was launched using:
RESULT:
Template:
3E58.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -130952 for 1539 contacts (-85.1/contact) +
2D Compatibility (PS) -21512 + (NN) -12857 + (LL) 652
1D Compatibility (HY) -23600 + (ID) 5600
Total energy: -193869.0 ( -125.97 by residue)
QMean score : 0.621
(partial model without unconserved sides chains):
PDB file :
Tito_3E58.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3E58-query.scw
PDB file :
Tito_Scwrl_3E58.pdb
: