Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRRGELWFA-------ATPGGDRPVLVLTRDPVADRIGAVVVVALTR---TRRGLVSELELTAVENRVPSDCVVNFDNIHTLPRTAFRRRITRLSPARLHEACQTLRASTGC
4HKE Chain:A ((3-113))
VKRGDVYFADLSPVVGSEQGGVRPVLVIQND-IGNRFSPTVIVAAITAQIQKAKLPTHVEIDAKKYGFERDSVILLEQIRTIDKQRLTDKITHLDEVMMIRVDEALQISLGL
General information:
TITO was launched using:
RESULT:
Template:
4HKE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -51072 for 719 contacts (-71.0/contact) +
2D Compatibility (PS) -11022 + (NN) -4702 + (LL) -140
1D Compatibility (HY) -8800 + (ID) 1450
Total energy: -77186.0 ( -107.35 by residue)
QMean score : 0.616
(partial model without unconserved sides chains):
PDB file :
Tito_4HKE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HKE-query.scw
PDB file :
Tito_Scwrl_4HKE.pdb
: