Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLDLSYSLERVLQEDPAARNKWEVLLLYPGIHALLCYRLAHALHKRRFYFIARALSQLARFITGIEIHPGAKIGRGLFIDHGMGVVIGETTEIGDDVTIYHGVTLGGTGKFKGKRHPTLGNRVVVGAGAKVLGAICVGDDVRIGANAVVLSDLPTGSTAVGAKAKTITKDR
4H7O Chain:C ((89-248))
-----------VNRDPAVSMYSMPLLYLKGYHALQGYRVANWLWRQGRKALATYFQNQISVACQVDIHPAARIGRGIMLDHATGIVIGETAVVEDDVSILQDVTLGGTGKECGDRHPKIREGVMIGAGAKILGNIEVGEGAKIGSGSVVLQAVPPHTTVAGVPARIVGRPQ
General information:
TITO was launched using:
RESULT:
Template:
4H7O.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -131830 for 1273 contacts (-103.6/contact) +
2D Compatibility (PS) -17390 + (NN) -8747 + (LL) 1092
1D Compatibility (HY) -11200 + (ID) 3300
Total energy: -171375.0 ( -134.62 by residue)
QMean score : 0.600
(partial model without unconserved sides chains):
PDB file :
Tito_4H7O.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4H7O-query.scw
PDB file :
Tito_Scwrl_4H7O.pdb
: