Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIRRGDVYLADLSPVQGSEQGGVRPVVIIQNDTGNKYSPTVIVAAITGRINKAKIPTHVEIEKKKYKLDKDSVILLEQIRTLDKKRLKEKLTYLSDDKMKEVDNALMISLGLNAVAHQKN
4HKE Chain:B ((2-113))
IVKRGDVYFADLSPVVGSEQGGVRPVLVIQNDIGNRFSPTVIVAAITAQIQKAKLPTHVEIDAKKYGFERDSVILLEQIRTIDKQRLTDKITHLDEVMMIRVDEALQISLGL--------
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) -63841 for 818 contacts (-78.0/contact) +
2D Compatibility (PS) -12376 + (NN) -5080 + (LL) 548
1D Compatibility (HY) -14400 + (ID) 3900
Total energy: -99049.0 ( -121.09 by residue)
QMean score : 0.550
(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
: