Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKLILCRHGQSEWNAKNLFTGWEDVNLSEQGINEATRAGEKVRENNIAIDVAFTSLLTRALDTTHYILTESKQQWIPVYKSWRLNERHYGGLQGLNKDDARKEFGEEQVHIWRRSYDVKPPAETEEQREAYLADRRYNHLDKRMMPYSESLKDTLVRVIPFWTDHISQYLLDGQTVLVSAHGNSIRALIKYLEDVSDEDIINYEIKTGAPLVYELTDDLEVI-DKYYL
1BQ4 Chain:C ((1-228))
-PKLVLVRHGQSEWNEKNLFTGWVDVKLSAKGQQEAARAGELLKEKKVYPDVLYTSKLSRAIQTANIALEKADRLWIPVNRSWRLNERHYGDLQGKDKAETLKKFGEEKFNTYRRSFDVPPPPIDASSPFSQKGDERYKYVDPNVLPETESLALVIDRLLPYWQDVIAKDLLSGKTVMIAAHGNSLRGLVKHLEGISDADIAKLNIPTGIPLVFELDENLKPSKPSYYL
General information:
TITO was launched using:
RESULT:
Template:
1BQ4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -90413 for 1893 contacts (-47.8/contact) +
2D Compatibility (PS) -24252 + (NN) -6107 + (LL) 208
1D Compatibility (HY) -18400 + (ID) 5700
Total energy: -144664.0 ( -76.42 by residue)
QMean score : 0.392
(partial model without unconserved sides chains):
PDB file :
Tito_1BQ4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1BQ4-query.scw
PDB file :
Tito_Scwrl_1BQ4.pdb
: