Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
YDYLFKVVLIGDSGVGKSNLLSRFTRNEFNLESKSTIGVEFATRSIQVDGKTIKAQIWDTAGQERYRAITSAYYRGAVGALLVYDIAKHLTYENVERWLKELRDHADSNIVIMLVGNKSDLRHLRAVPTDEARAFAEKNNLSFIETSALDSTNVEEAFKNILTEIYRIVSQKQIADCAAHDESPGNNVVDISVPPTTD
2OIL Chain:A ((22-193))
YNFVFKVVLIGESGVGKTNLLSRFTRNEFSHDSRTTIGVEFSTRTVMLGTAAVKAQIWDTAGLERYRAITSAYYRGAVGALLVFDLTKHQTYAVVERWLKELYDHAEATIVVMLVGNKSDLSQAREVPTEEARMFAENNGLLFLETSALDSTNVELAFETVLKEIFAKVSKQ--------------------------
General information:
TITO was launched using:
RESULT:
Template:
2OIL.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113937 for 1383 contacts (-82.4/contact) +
2D Compatibility (PS) -18906 + (NN) -7612 + (LL) 732
1D Compatibility (HY) -20800 + (ID) 6000
Total energy: -166523.0 ( -120.41 by residue)
QMean score : 0.493
(partial model without unconserved sides chains):
PDB file :
Tito_2OIL.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2OIL-query.scw
PDB file :
Tito_Scwrl_2OIL.pdb
: