Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMYSKLLTLTTLLLPTALALPSLVERACDYTCGSNCYSSSDVSTAQAAGYQLHEDGETVGSNSYPHKYNNYEGFDFSVSSPYYEWPILSSGDVYSGGSPGADRVVFNENNQLAGVITHTGASGNNFVECT
3BU4 Chain:A ((1-104))
--------------------------ACDYTCGSNCYSSSDVSTAQAAGYKLHEDGETVGSNSYPHKYNNYEGFDFSVSSPYYEWPILSSGDVYSGGSPGADRVVFNENNQLAGVITHTGASGNNFVECT
General information:
TITO was launched using:
RESULT:
Template:
3BU4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -49701 for 769 contacts (-64.6/contact) +
2D Compatibility (PS) -11866 + (NN) -9588 + (LL) 2712
1D Compatibility (HY) -12400 + (ID) 5150
Total energy: -85993.0 ( -111.82 by residue)
QMean score : 0.473
(partial model without unconserved sides chains):
PDB file :
Tito_3BU4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BU4-query.scw
PDB file :
Tito_Scwrl_3BU4.pdb
: