Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGFLTGKRALIVGVASKLSIASGIAAAMHREGAELAFTYQNDKLRGRVEEFASGWGSRPELCFPCDVADDSQIEAVFAALGKHWDGLDIIVHSVGFAPGDQLDGDFTAVTTREGFRIAHDISAYSFIALAKAGREMMKGRNGSLLTLSYLGAERTMPNYNVMGMAKASLEAGVRYLAGSLGAEGTRVNAVSAGPIRTLAASGIKSFRKMLAANERQTPLRRNVTIEEVGNAGAFLCSDLASGISGEILYVDGGFNTTAMGPLDDD
4NR0 Chain:B ((2-260))
-GFLTGKRALIVGVASKLSIASGIAAAMHREGAELAFTYQNDKLRGRVEEFASGWGSRPELCFPCDVADDSQIEAVFAALGKHWDGLDIIVHSVGFAPGDQLDGDFTAVTTREGFRIAHDISAYSFIALAKAGREMMKGRNGSLLTLSYLGAERTMPNYNVMGMAKASLEAGVRYLAGSLGAEGTRVNAVSAGPIRTLAASGIKSFRKMLAANERQTPLRRNVTIEEVGNAGAFLCSDLASGISGEILYVDGGFNTTAMG-----
General information:
TITO was launched using:
RESULT:
Template:
4NR0.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -183392 for 2284 contacts (-80.3/contact) +
2D Compatibility (PS) -28334 + (NN) -12863 + (LL) 16
1D Compatibility (HY) -33200 + (ID) 12950
Total energy: -270723.0 ( -118.53 by residue)
QMean score : 0.573
(partial model without unconserved sides chains):
PDB file :
Tito_4NR0.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NR0-query.scw
PDB file :
Tito_Scwrl_4NR0.pdb
: