Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQGLVLQLTRAGFLMLLWVFIWSVLRILKTDIYAPTGAVMMRRGLALRGTLLGARQRRHAARYLVVTEGALTGARITLSEQ-PVLIGRADD-STLVLTDDYASTRHARLSMRG-SEWYVEDLGSTNGTYLDRAKVTTAVRVPIGTPVRIGKTAIELRP
3GQS Chain:A ((4-100))
------------------------------------------------------------RFLLKVLA-ANIGAEFHLDSGKTYIVGSDPQVADIVLSDMSISRQHAKIIIGNDNSVLIEDLGSKNGVIVEGRKIEHQSTLSANQVVALGTTLFLLV-
General information:
TITO was launched using:
RESULT:
Template:
3GQS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -63947 for 674 contacts (-94.9/contact) +
2D Compatibility (PS) -10054 + (NN) -1541 + (LL) 5744
1D Compatibility (HY) -8000 + (ID) 1250
Total energy: -79048.0 ( -117.28 by residue)
QMean score : 0.553
(partial model without unconserved sides chains):
PDB file :
Tito_3GQS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GQS-query.scw
PDB file :
Tito_Scwrl_3GQS.pdb
: