Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGFLTGKRALIVGVASKLSIASGIAAAMHREGAELAFTYQNDKLRGRVEEFASGWGSRPELCFPCDVADDSQIEAVFAALGKHWDGLDIIVHSVGFAPGDQLDGDFTAVTTREGFRIAHDISAYSFIALAKAGREMMKGRNGSLLTLSYLGAERTMPNYNVMGMAKASLEAGVRYLAGSLGAEGTRVNAVSAGPIRTLAASGIKSFRKMLAANERQTPLRRNVTIEEVGNAGAFLCSDLASGISGEILYVDGGFNTTAMGPLDDD
4NR0 Chain:D ((2-262))
-GFLTGKRALIVGVASKLSIASGIAAAMHREGAELAFTYQNDKLRGRVEEFASGWGSRPELCFPCDVADDSQIEAVFAALGKHWDGLDIIVHSVGFAPGDQLDGDFTAVTTREGFRIAHDISAYSFIALAKAGREMMKGRNGSLLTLSYLGAERTMPNYNVMGMAKASLEAGVRYLAGSLGAEGTRVNAVSAGPIRTLAASGIKSFRKMLAANERQTPLRRNVTIEEVGNAGAFLCSDLASGISGEILYVDGGFNTTAMGPL---
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) -184709 for 2278 contacts (-81.1/contact) +
2D Compatibility (PS) -28590 + (NN) -12934 + (LL) -20
1D Compatibility (HY) -33600 + (ID) 13050
Total energy: -272903.0 ( -119.80 by residue)
QMean score : 0.597
(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
: