Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRVGKKLLEIPSDVTVTLNDNNTVAVKGPKGELTRTFHPDMEIKVEDNVLTVARPSDQKEHRALHGTTRSLLGNMVEGVSKGFERGLELVGVGYRASKSGNKLVLNVGYSHPVEIVPEEGIEIEVPSQTKVVVKGTDKERVGAIAANIRAVRSPEPYKGKGIRYEGEVVRRKEGKSAK
3PIO Chain:E ((5-169))
----GKQPIAVPSGVTVNAQDG-VFKVKGPKGELTVPYNTELTVRQDGDQLLVERPSDAQKHRALHGLTRTLVANAVKGVSDGYTINLELRGVGFRAKLTGKALEMNIGYSHPVIIEPPAGVTFAVPEPTRIDVSGIDKQLVGQVAANVRKVRKPDAYHGKGVRFVGEQI---------
General information:
TITO was launched using:
RESULT:
Template:
3PIO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -51995 for 1127 contacts (-46.1/contact) +
2D Compatibility (PS) -18683 + (NN) -12110 + (LL) 832
1D Compatibility (HY) -12400 + (ID) 4050
Total energy: -98406.0 ( -87.32 by residue)
QMean score : 0.500
(partial model without unconserved sides chains):
PDB file :
Tito_3PIO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PIO-query.scw
PDB file :
Tito_Scwrl_3PIO.pdb
: