Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MERAFFMQQALEEAEKARDIGEVPIGAVVVLDGEIIGRAHNLRETSQNAVTHAELLAIQ---DACKHQN---SWRLSGAELYVTLEPCPMCSGAILLSRIEKVYYGAKDPKAGTAGSLMNLLQDDRFN--HTCEVEAGLMESESSEMLKSFFQELRKRNKSNRS
3DH1 Chain:D ((29-177))
-----WMEEAMHMAKEALENTEVPVGCLMVYNNEVVGKGRNEVNQTKNATRHAEMVAIDQVLDWCRQSGKSPSEVFEHTVLYVTVEPCIMCAAALRLMKIPLVVYGCQNERFGGCGSVLNIASADLPNTGRPFQCIPGYRAEEAVEMLKTFYKQ----------
General information:
TITO was launched using:
RESULT:
Template:
3DH1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -61278 for 1159 contacts (-52.9/contact) +
2D Compatibility (PS) -15391 + (NN) -6676 + (LL) 1076
1D Compatibility (HY) -12400 + (ID) 2500
Total energy: -97169.0 ( -83.84 by residue)
QMean score : 0.574
(partial model without unconserved sides chains):
PDB file :
Tito_3DH1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3DH1-query.scw
PDB file :
Tito_Scwrl_3DH1.pdb
: