Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDGEKETSKLLHELKKATNLRQVLDENEAEFKSSEMVTYLKELLAE------KKLTKASVIRAARLHETYGYQIFSGVR-RPSRDRTIALSFGFKLSGLEASRLLKYTEYPPLYAKNRRDAIIIFALDHGYTLDQTNDSLYDLEEALIETYKEEKPLI
3PXP Chain:A ((4-79))
--------------------------------RAAFGKLVQALRREHRDEKGRVWTQEVLAERTQLPKRTIERIENGSLAHLDADILLRLADALELTIGERREFFFAA--------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3PXP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -28186 for 460 contacts (-61.3/contact) +
2D Compatibility (PS) -7280 + (NN) -1074 + (LL) 6096
1D Compatibility (HY) -1600 + (ID) 500
Total energy: -32544.0 ( -70.75 by residue)
QMean score : 0.624
(partial model without unconserved sides chains):
PDB file :
Tito_3PXP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PXP-query.scw
PDB file :
Tito_Scwrl_3PXP.pdb
: