Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
-MHSLQAKILDPRLGSDFPLPQYATPGSAGLDLRAMLKEDSVLGPGQTLLIPTGLSIYIADPGLAALVLPRSGLGHKHGIVLGNLVGLIDSDYQGELMVSCWNRGESPFTIAVGERIAQLVLVPVVQAHFELVEAFDESQRGAGGFGHSGSH
1DUP Chain:A ((1-136))
MMKKIDVKILDPRVGKEFPLPTYATSGSAGLDLRACLNDAVELAPGDTTLVPTGLAIHIADPSLAAMMLPRSGLGHKHGIVLGNLVGLIDSDYQGQLMISVWNRGQDSFTIQPGERIAQMIFVPVVQAEFNLVED--F--------------
General information:
TITO was launched using:
RESULT:
Template:
1DUP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -97674 for 911 contacts (-107.2/contact) +
2D Compatibility (PS) -14617 + (NN) -5748 + (LL) -304
1D Compatibility (HY) -17600 + (ID) 4750
Total energy: -140693.0 ( -154.44 by residue)
QMean score : 0.412
(partial model without unconserved sides chains):
PDB file :
Tito_1DUP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1DUP-query.scw
PDB file :
Tito_Scwrl_1DUP.pdb
: