Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRDEVFEKMLELLRQQLGDPQLDITPESSLHDDLAIDSIALTEFIINLEDVFHLEIPDEAVEHMSSVQQLLDYIIEHK
4DXE Chain:I ((26-96))
----ENFDKVKDIIVDRLGVDADKVTEDASFKDDLGADSLDIAELVMELEDEFGTEIPDEEAEKINTVGDAVKFINSL-
General information:
TITO was launched using:
RESULT:
Template:
4DXE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -54979 for 486 contacts (-113.1/contact) +
2D Compatibility (PS) -7754 + (NN) -6077 + (LL) 408
1D Compatibility (HY) -5200 + (ID) 1250
Total energy: -74852.0 ( -154.02 by residue)
QMean score : 0.772
(partial model without unconserved sides chains):
PDB file :
Tito_4DXE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4DXE-query.scw
PDB file :
Tito_Scwrl_4DXE.pdb
: