Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQGLVLQLTRAGFLMLLWVFIWSVLRILKTDIYAPTGAVMMRRGLALRGTLLGARQRRHAARYLVVTEGALTGARITLSEQPVLIGRADDSTLVLTDDYASTRHARLSMRGSEWYVEDLGSTNGTYLDRAKVTTAVRVPIGTPVRIGKTAIELRP-
1R21 Chain:A ((1-100))
--------------------------------------------------------MWPTRRLVTIKRSGVDGPHFPLSLSTCLFGRGIECDIRIQLPVVSKQHCKIEIHEQEAILHNFSSTNPTQVNGSVIDEPVRLKHGDVITIIDRSFRYENE
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) -64274 for 686 contacts (-93.7/contact) +
2D Compatibility (PS) -10737 + (NN) -2912 + (LL) 5668
1D Compatibility (HY) -8000 + (ID) 900
Total energy: -81155.0 ( -118.30 by residue)
QMean score : 0.380
(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
: