Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRTPIIAGNWKMNKTVQEAKDFVNALPTLPDSKEVESVICAPAIQLDALTTAVKEGKAQGLEIGAQNTYFEDNGAFTGETSPVALADLGVKYVVIGHSERRELFHETDEEINKKAHAIFKHGMTPIICVGETDEERESGKANDVVGEQVKKAVAGLSEDQLKSVVIAYEPIWAIGTGKSSTSEDANEMCAFVRQTIADLSSKEVSEATRIQYGGSVKPNNIKEYMAQTDIDGALVGGASLKVEDFVQLLEGAK
2I9E Chain:D ((3-243))
-RKFVVGGNWKMNGDKKQINEIIGFLKSGPLNQDTEVVVGVPAIYLELVRTCV----PASIGVAAQNCYKVPKGAFTGEISPAMIKDVGADWVILGHSERRQIFGESDELIAEKVCHALESGLKVIACIGETLEEREAGKTEEVVFRQTKAIAAKVND--WSNVVIAYEPVWAIGTGKTATPQQAQDVHKALRQWICENIDAKVGNSIRIQYGGSVTAANCKELASQPDIDGFLVGGASLKPE-FVDII----
General information:
TITO was launched using:
RESULT:
Template:
2I9E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -102425 for 2061 contacts (-49.7/contact) +
2D Compatibility (PS) -26328 + (NN) -12937 + (LL) 376
1D Compatibility (HY) -17200 + (ID) 5400
Total energy: -163914.0 ( -79.53 by residue)
QMean score : 0.555
(partial model without unconserved sides chains):
PDB file :
Tito_2I9E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2I9E-query.scw
PDB file :
Tito_Scwrl_2I9E.pdb
: