Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALKSLVVLPLLVLVLLLVRVQPSLGKESAAAKFERQHMDSGNSPSSSSNYCNLMMCCRKMTQGKCKPVNTFVHESLADVKAVCSQKKVTCKNGQTNCYQSKSTMRITDCRETGSSKYPNCAYKTTQVEKHIIVACGGKPSVPVHFDASV
3MWQ Chain:A ((1-124))
--------------------------KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV
General information:
TITO was launched using:
RESULT:
Template:
3MWQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -36991 for 913 contacts (-40.5/contact) +
2D Compatibility (PS) -13991 + (NN) -12388 + (LL) 3040
1D Compatibility (HY) -11600 + (ID) 5050
Total energy: -76980.0 ( -84.32 by residue)
QMean score : 0.395
(partial model without unconserved sides chains):
PDB file :
Tito_3MWQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MWQ-query.scw
PDB file :
Tito_Scwrl_3MWQ.pdb
: