Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MCKYKAIIFDMDGVLFDTELFYYKRRERFLKQHGITIDHLPMNF--FIGGNMKQVWKSVLGDQYDTWDIDKLQQDYSRYKEDNPLPYKDLIFQDCKRVIEKLHHKGYLLGLASSSTRHDIMLALESFNLDTYFKVILSGEEFSESKPNPAIYNRAAELLDIPKQQILIVEDSEKGITAGIAAGIDVWAIEDKYFGMNQSQANVLVSDLSQFFVKLDNY
2NYV Chain:A ((4-211))
----RVILFDLDGTLIDSAKDIALALEKTLKELGLE-EYYPDNVTKYIGGGVRALLEKVLKDKFREEYVEVFRKHYL----ENPVVYTK-PYPEIPYTLEALKSKGFKLAVVSNKLEELSKKILDILNLSGYFDLIVGGDTFGEKKPSPTPVLKTLEILGEEPEKALIVGDTDADIEAGKRAGTKTALALWGYVKLNSQIPDFTLSRPSDLVKLMDNH
General information:
TITO was launched using:
RESULT:
Template:
2NYV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -106567 for 1704 contacts (-62.5/contact) +
2D Compatibility (PS) -22405 + (NN) -13660 + (LL) 1160
1D Compatibility (HY) -11600 + (ID) 2800
Total energy: -155872.0 ( -91.47 by residue)
QMean score : 0.576
(partial model without unconserved sides chains):
PDB file :
Tito_2NYV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NYV-query.scw
PDB file :
Tito_Scwrl_2NYV.pdb
: