Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHSLQAKILDPRLGSDFPLPQYATPGSAGLDLRAMLKEDSVLGPGQTLLIPTGLSIYIADPGLAALVLPRSGLGHKHGIVLGNLVGLIDSDYQGELMVSCWNRGESPFTIAVGERIAQLVLVPVVQAHFELVEAFDESQRGAGGFGHSGSH
1DUP Chain:A ((2-136))
MKKIDVKILDPRVGKEFPLPTYATSGSAGLDLRACLNDAVELAPGDTTLVPTGLAIHIADPSLAAMMLPRSGLGHKHGIVLGNLVGLIDSDYQGQLMISVWNRGQDSFTIQPGERIAQMIFVPVVQAEFNLVEDF----------------
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) -98444 for 911 contacts (-108.1/contact) +
2D Compatibility (PS) -14610 + (NN) -5857 + (LL) -332
1D Compatibility (HY) -18000 + (ID) 4800
Total energy: -142043.0 ( -155.92 by residue)
QMean score : 0.405
(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
: