Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRWEELSEQPCSLARVLAILGDRWTLLVLRDCF-L--GVRRFDDFERSL-GVTRHVLADRLKRLVEAEILAKVPYQERPLR-----EEYRLTEKGMELYPAILSLVNWGDRHLAGVEGPPLEHVHKHCGQHMHGVLVCSECGEPLHARDVTVREGLFWKGRLLRRG
3U1D Chain:A ((18-110))
-----------DELERRRFVLHETRLDVLHQILAQPDGVLSVEELLYRNPDETEANLRYHVDELVDRGIVEKIPVPRAKSVDDPPTTFYAVTGEGIALLRAVSMYEEAAVWRSVYEQMERTDRIEAIENLETRPDVDYESRGATA---------------------
General information:
TITO was launched using:
RESULT:
Template:
3U1D.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -60906 for 539 contacts (-113.0/contact) +
2D Compatibility (PS) -9009 + (NN) -1735 + (LL) 1852
1D Compatibility (HY) -5200 + (ID) 850
Total energy: -75848.0 ( -140.72 by residue)
QMean score : 0.456
(partial model without unconserved sides chains):
PDB file :
Tito_3U1D.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3U1D-query.scw
PDB file :
Tito_Scwrl_3U1D.pdb
: