Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQGLVLQLTRAGFLMLLWVFIWSVLRILKTDIYAPTGAVMMRRGLALRGTLLGARQRRHAARYLVVTEGALTGARITLSEQPVLIGRADDSTLVLTDDYASTRHARLSMRGSEWYVEDLGSTNGTYLDRAKVTTAVRVPIGTPVRIGKTAIELRP
2KKL Chain:A ((58-141))
---------------------------------------------------------------LVVKRGPNAGSRFLLDQAITSAGRHPDSDIFLDDVTVSRRHAEFRLENNEFNVVDVGSLNGTYVNREPVDSAV-LANGDEVQIGK-------
General information:
TITO was launched using:
RESULT:
Template:
2KKL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -43131 for 500 contacts (-86.3/contact) +
2D Compatibility (PS) -9240 + (NN) -3428 + (LL) 7132
1D Compatibility (HY) -5200 + (ID) 1750
Total energy: -55617.0 ( -111.23 by residue)
QMean score : 0.401
(partial model without unconserved sides chains):
PDB file :
Tito_2KKL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2KKL-query.scw
PDB file :
Tito_Scwrl_2KKL.pdb
: