Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKLILCRHGQSEWNAKNLFTGWEDVNLSEQGINEATRAGEKVRENNIAIDVAFTSLLTRALDTTHYILTESKQQWIPVYKSWRLNERHYGGLQGLNKDDARKEFGEEQVHIWRRSYDVKPPAETEEQREAYLADRRYNHLDKRMMPYSESLKDTLVRVIPFWTDHISQYLLDGQTVLVSAHGNSIRALIKYLEDVSDEDIINYEIKTGAPLVYELTDDLEVI-DKYYL
1BQ3 Chain:C ((1-228))
-PKLVLVRHGQSEWNEKNLFTGWVDVKLSAKGQQEAARAGELLKEKKVYPDVLYTSKLSRAIQTANIALEKADRLWIPVNRSWRLNERHYGDLQGKDKAETLKKFGEEKFNTYRRSFDVPPPPIDASSPFSQKGDERYKYVDPNVLPETESLALVIDRLLPYWQDVIAKDLLSGKTVMIAAHGNSLRGLVKHLEGISDADIAKLNIPTGIPLVFELDENLKPSKPSYYL
General information:
TITO was launched using:
RESULT:
Template:
1BQ3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -83735 for 1870 contacts (-44.8/contact) +
2D Compatibility (PS) -24172 + (NN) -4002 + (LL) 208
1D Compatibility (HY) -18400 + (ID) 5700
Total energy: -135801.0 ( -72.62 by residue)
QMean score : 0.395
(partial model without unconserved sides chains):
PDB file :
Tito_1BQ3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1BQ3-query.scw
PDB file :
Tito_Scwrl_1BQ3.pdb
: