Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGFLTGKRALIVGVASKLSIASGIAAAMHREGAELAFTYQNDKLRGRVEEFASGWGSRPELCFPCDVADDSQIEAVFAALGKHWDGLDIIVHSVGFAPGDQLDGDFTAVTTREGFRIAHDISAYSFIALAKAGREMMKGRNGSLLTLSYLGAERTMPNYNVMGMAKASLEAGVRYLAGSLGAEGTRVNAVSAGPIRTLAASGIKSFRKMLAANERQTPLRRNVTIEEVGNAGAFLCSDLASGISGEILYVDGGFNTTAMGPLDDD
4NQZ Chain:A ((2-259))
-GFLTGKRALIVGVASKLSIASGIAAAMHREGAELAFTYQNDKLRGRVEEFASGWGSRPELCFPCDVADDSQIEAVFAALGKHWDGLDIIVHSVGFAPGDQLDGDFTAVTTREGFRIAHDISAYSFIALAKAGREMMKGRNGSLLTLSYLGAERTMPNYNVMGMAKASLEAGVRYLAGSLGAEGTRVNAVSAGPIRT----------KMLAANERQTPLRRNVTIEEVGNAGAFLCSDLASGISGEILYVDGGFNTTAM------
General information:
TITO was launched using:
RESULT:
Template:
4NQZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -171703 for 2130 contacts (-80.6/contact) +
2D Compatibility (PS) -27075 + (NN) -11527 + (LL) 580
1D Compatibility (HY) -32000 + (ID) 12400
Total energy: -254125.0 ( -119.31 by residue)
QMean score : 0.583
(partial model without unconserved sides chains):
PDB file :
Tito_4NQZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NQZ-query.scw
PDB file :
Tito_Scwrl_4NQZ.pdb
: