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:B ((29-176))
-----WMEEAMHMAKEALENTEVPVGCLMVYNNEVVGKGRNEVNQTKNATRHAEMVAIDQVLDWCRQSGKSPSEVFEHTVLYVTVEPCIMCAAALRLMKIPLVVYGCQNERFGGCGSVLNIASADLPNTGRPFQCIPGYRAEEAVEMLKTFYK-----------
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) -62377 for 1150 contacts (-54.2/contact) +
2D Compatibility (PS) -15307 + (NN) -7759 + (LL) 1180
1D Compatibility (HY) -12400 + (ID) 2500
Total energy: -99163.0 ( -86.23 by residue)
QMean score : 0.580
(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
: