Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEAFHTHSGIGVPLRRSNVDTDQIIPAVFLKRVTRTGFEDGLFAGWRSDPAFVLNLSPFDRGSVLVAGPDFGTGSSREHAVWALMDYGFRVVISSRFGDIFRGNAGKAGLLAAEVAQDDVELLWKLIEQSPGLEITANLQDRIITAATVVLPFKIDDHSAWRLLEGLDDIALTLRKLDEIEAFEGACAYWKPRTLPAP
3VBA Chain:A ((14-102))
----------------NNVDTDAILPARYL--VYTKPEELAQFVMTGADPDFPKKVKP---GDIIVGGKNFGCGSSREHAPLGLKGAGISCVIAESFARIFYRNAINVGL----------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3VBA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -56275 for 696 contacts (-80.9/contact) +
2D Compatibility (PS) -9563 + (NN) -4578 + (LL) 8768
1D Compatibility (HY) -5600 + (ID) 1950
Total energy: -69198.0 ( -99.42 by residue)
QMean score : 0.363
(partial model without unconserved sides chains):
PDB file :
Tito_3VBA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3VBA-query.scw
PDB file :
Tito_Scwrl_3VBA.pdb
: