Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRAKAAPVAGPEVAANRAGRQARIVAILSSAQVRSQNELAALLAAEGIEVTQATLSRDLEELGAVKLRGADGGTGIYVVPEDGSPVRGVSGGTDRMARLLGELLVSTDDSGNLAVLRTPPGAAHYLASAIDRAALPQVVGTIAGDDTILVVAREPTTGAQLAGMFENLR
3CAG Chain:D ((2-79))
--------------------------------------------------------------------------------------------GTDRMARLLGELLVSTDDSGNLAVLRTPPGAAHYLASAIDRAALPQVVGTIAGDDTILVVAREPTTGAQLAGMFENLR
General information:
TITO was launched using:
RESULT:
Template:
3CAG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -56105 for 578 contacts (-97.1/contact) +
2D Compatibility (PS) -8591 + (NN) -5729 + (LL) 6148
1D Compatibility (HY) -9600 + (ID) 3900
Total energy: -77777.0 ( -134.56 by residue)
QMean score : 0.727
(partial model without unconserved sides chains):
PDB file :
Tito_3CAG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CAG-query.scw
PDB file :
Tito_Scwrl_3CAG.pdb
: