Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVKLVFARHGESEWNKANLFTGWADVDLSEKGTQQAIDAGKLIQAAGIEFDLAFTSVLKRAIKTTNLALEAADQLWVPVEKSWRLNERHYGGLTGKNKAEAAEQFGDEQVHIWRRSYDVLPPDMAKDDEHSAHTDRRYASLDDSVIPDAENLKVTLERALPFWEDKIAPALKDGKNVFVGAHGNSIRALVKHIKQLSDDEIMDVEIPNFPPLVFEFDEKLNLVS-EYYLGK
1BQ3 Chain:A ((2-228))
--KLVLVRHGQSEWNEKNLFTGWVDVKLSAKGQQEAARAGELLKEKKVYPDVLYTSKLSRAIQTANIALEKADRLWIPVNRSWRLNERHYGDLQGKDKAETLKKFGEEKFNTYRRSFDVPPPPIDASSPFSQKGDERYKYVDPNVLPETESLALVIDRLLPYWQDVIAKDLLSGKTVMIAAHGNSLRGLVKHLEGISDADIAKLNIPTGIPLVFELDENLKPSKPSYYLDP
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) -68967 for 1885 contacts (-36.6/contact) +
2D Compatibility (PS) -24268 + (NN) -5480 + (LL) 400
1D Compatibility (HY) -21600 + (ID) 5850
Total energy: -125765.0 ( -66.72 by residue)
QMean score : 0.478
(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
: