Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRAKAAPVAGPEVAANRAGRQARIVAILSSAQVRSQNELAALLAAEGIEVTQATLSRDLEELGAVKLRGADGGTGIYVVPEDGSPVRGVSGGTDRMARLLGELLVSTDDSGNLAVLRTPPGAAHYLASAIDRAALPQVVGTIAGDDTILVVAREPTTGAQLAGMFENLR
3CAG Chain:A ((3-79))
---------------------------------------------------------------------------------------------TDRMARLLGELLVSTDDSGNLAVLRTPPGAAHYLASAIDRAALPQVVGTIAGDDTILVVAREPTTGAQLAGMFENLR
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) -55783 for 563 contacts (-99.1/contact) +
2D Compatibility (PS) -8461 + (NN) -6058 + (LL) 5976
1D Compatibility (HY) -9600 + (ID) 3850
Total energy: -77776.0 ( -138.15 by residue)
QMean score : 0.796
(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
: