Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKLIISIMAVMLFLTGCGKSQEKATLEKDIDNLQKENKELKDKKEKLQQEKEKLADKQKDLEKEVKDLKPSKEDNKDDKKDEDKNKDKDKDKEASQDKQSKDQTKSSDKDNHKKPTSTDKDQKANDKHQS
3HE5 Chain:A ((4-45))
------------------------AQLENEVASLENENETLKKKNLHKKDLIAYLEKEIANLRKKI-----------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3HE5.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) 13033 for 159 contacts (82.0/contact) +
2D Compatibility (PS) -4836 + (NN) -4671 + (LL) 3308
1D Compatibility (HY) -2400 + (ID) 600
Total energy: 3834.0 ( 24.11 by residue)
QMean score : 0.876
(partial model without unconserved sides chains):
PDB file :
Tito_3HE5.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HE5-query.scw
PDB file :
Tito_Scwrl_3HE5.pdb
: