Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQGLVLQLTRAGFLMLLWVFIWSVLRILKTDIYAPTGAVMMRRGLALRGTLLGARQRRHAARYLVVTEGALTGARITLSEQPVLIGRADDSTLVLTDDYASTRHARLSMRGSEWYVEDLGSTNGTYLDRAKVTTAVRVPIGTPVRIGKTAIELRP
2KB3 Chain:A ((43-138))
---------------------------------------------------------PAGSALLVVKRGPNAGARFLLDQPTTTAGRHPESDIFLDDVTVSRRHAEFRINEGEFEVVDVGSLNGTYVNREPRN-AQVMQTGDEIQIGKFRLVFL-
General information:
TITO was launched using:
RESULT:
Template:
2KB3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -53264 for 702 contacts (-75.9/contact) +
2D Compatibility (PS) -10137 + (NN) -1994 + (LL) 5680
1D Compatibility (HY) -4800 + (ID) 1600
Total energy: -66115.0 ( -94.18 by residue)
QMean score : 0.466
(partial model without unconserved sides chains):
PDB file :
Tito_2KB3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2KB3-query.scw
PDB file :
Tito_Scwrl_2KB3.pdb
: