Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTVSKVAIASDHGGIELRKSIISYLESVGISYEEFGPETPESVDYPRLAITVSEKVVNQEVDRGILVCGTGIGMSIAANKVKGIRCALVGDTFSAHATREHNDTNVLALGARVIGPGLAEDIVKIWLETEYEGGRHANRVGQITAYEDSHA
3HE8 Chain:B ((2-148))
----KIGIGSDHGGYNLKREIADFLKKRGYEVIDFGTHGNESVDYPDFGLKVAEAVKSGECDRGIVICGTGLGISIAANKVPGIRAAVCTNSYMARMSREHNDANILALGERVVGLDLALDIVDTWLKAEFQGGRHATRVGKIGEIEKKYS
General information:
TITO was launched using:
RESULT:
Template:
3HE8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -108836 for 1243 contacts (-87.6/contact) +
2D Compatibility (PS) -16042 + (NN) -6730 + (LL) 424
1D Compatibility (HY) -15200 + (ID) 3750
Total energy: -150134.0 ( -120.78 by residue)
QMean score : 0.478
(partial model without unconserved sides chains):
PDB file :
Tito_3HE8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HE8-query.scw
PDB file :
Tito_Scwrl_3HE8.pdb
: