Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMYSKLLTLTTLLLPTALALPSLVERACDYTCGSNCYSSSDVSTAQAAGYQLHEDGETVGSNSYPHKYNNYEGFDFSVSSPYYEWPILSSGDVYSGGSPGADRVVFNENNQLAGVITHTGASGNNFVECT
4HOH Chain:C ((1-104))
--------------------------ACDYTCGSNCYSSSDVSTAQAAGYKLHEDGETVGSNSYPHKYNNYEGFDFSVSSPYYEWPILSSGDVYSGGSPGADRVVFNENNQLAGVITHAGASGNNFVECT
General information:
TITO was launched using:
RESULT:
Template:
4HOH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -47523 for 768 contacts (-61.9/contact) +
2D Compatibility (PS) -11892 + (NN) -10153 + (LL) 2712
1D Compatibility (HY) -12400 + (ID) 5100
Total energy: -84356.0 ( -109.84 by residue)
QMean score : 0.471
(partial model without unconserved sides chains):
PDB file :
Tito_4HOH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HOH-query.scw
PDB file :
Tito_Scwrl_4HOH.pdb
: