Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQGLVLQLTRAGFLMLLWVFIWSVLRILKTDIYAPTGAVMMRRGLALRGTLLGARQRRHAARYLVVTE-GALTGARITLSEQPVLIGRADDSTLVLTDDYASTRHARLSMRGSEWYVEDLGSTNGTYLDRAKVTTAVRVPIGTPVRIGKTAIELRP
1R21 Chain:A ((4-98))
------------------------------------------------------------TRRLVTIKRSGVDGPHFPLSLSTCLFGRGIECDIRIQLPVVSKQHCKIEIHEQEAILHNFSSTNPTQVNGSVIDEPVRLKHGDVITIIDRSFRYE-
General information:
TITO was launched using:
RESULT:
Template:
1R21.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -65124 for 652 contacts (-99.9/contact) +
2D Compatibility (PS) -10228 + (NN) -2441 + (LL) 5916
1D Compatibility (HY) -7200 + (ID) 1000
Total energy: -80077.0 ( -122.82 by residue)
QMean score : 0.426
(partial model without unconserved sides chains):
PDB file :
Tito_1R21.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1R21-query.scw
PDB file :
Tito_Scwrl_1R21.pdb
: