Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRRGELWFA-------ATPGGDRPVLVLTRDPVADRIGAVVVVALTRT---RRGLVSELELTAVENRVPSDCVVNFDNIHTLPRTAFRRRITRLSPARLHEACQTLRASTGC
1NE8 Chain:A ((4-111))
VKRGDVYFADLSPVVGSEQGGVRPVLVIQND-IGNRFSPTAIVAAITAQIQKAKLPTHVEIDAKRYGFERDSVILLEQIRTIDKQRLTDKITHLDDEMMDKVDEALQIS---
General information:
TITO was launched using:
RESULT:
Template:
1NE8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -46334 for 706 contacts (-65.6/contact) +
2D Compatibility (PS) -10574 + (NN) -3623 + (LL) -204
1D Compatibility (HY) -7600 + (ID) 1350
Total energy: -69685.0 ( -98.70 by residue)
QMean score : 0.630
(partial model without unconserved sides chains):
PDB file :
Tito_1NE8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NE8-query.scw
PDB file :
Tito_Scwrl_1NE8.pdb
: