Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDKDLILLGIASVIGA---LTGLWLSFTALSHLI--IGGVIAAIPVMLLSAYYICDSIRKGKFSKKDLFESYLCMLHKCHDWSWSCCNRNCFFPGAMIGIGYATLAGGAIAPIIAIFPMYSIIVPIAEKVNEYIIFPIIEYFSLKGKEHEQV
3WGU Chain:A ((287-348))
-----IITGVAVFLGVSFFILSLILEYTWLEAVIFLIGIIVANVPEGLLATVTVCLTLTAKRMARKNCLVKNLEAVETLGSTSTICSDKTGTLTQNRMTVAHMWFDNQIHEADTTENQSGVSFDKTSATWLALSRIAGLCNRAVFQANQENL
General information:
TITO was launched using:
RESULT:
Template:
3WGU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -21328 for 248 contacts (-86.0/contact) +
2D Compatibility (PS) -5628 + (NN) -520 + (LL) 296
1D Compatibility (HY) -8000 + (ID) 850
Total energy: -36030.0 ( -145.28 by residue)
QMean score : -0.080
(partial model without unconserved sides chains):
PDB file :
Tito_3WGU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WGU-query.scw
PDB file :
Tito_Scwrl_3WGU.pdb
: