Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MQQIQRDIAQALQVQPPFQSEADVQAQIARRIAFIQQCLKDSGLKTLVLGISGGVDSLTAGLLAQRAVEQLREQTGDQAYRFIAVRLPYQVQQDEADAQASLATIRADEEQTVNIGPSVKALAEQLEALEGLEPAKSDFVIGNIKARIRMVAQYAIAGARGGLVIGTDHAAEAVMGFFTKFGDGACDLAPLSGLAKHQVRALARALGAPENLVEKIPTADLEDLRPGHPDEASHGVTYAEIDAFLHGQPLREEAARVIVDTYHKTQHKRELPKAP
4XFD Chain:A ((9-283))
MQQIQRDIAQALQVQPPFQSEADVQAQIARRIAFIQQCLKDSGLKTLVLGISGGVDSLTAGLLAQRAVEQLREQTGDQAYRFIAVRLPYQVQQDEADAQASLATIRADEEQTVNIGPSVKALAEQLEALEGLEPAKSDFVIGNIKARIRMVAQYAIAGARGGLVIGTDHAAEAVMGFFTKFGDGACDLAPLSGLAKHQVRALARALGAPENLVEK------------------HGVTYAEIDAFLHGQPLREEAARVIVDTYHKTQHKRELPKAP
General information:
TITO was launched using:
RESULT:
Template:
4XFD.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -129719 for 2032 contacts (-63.8/contact) +
2D Compatibility (PS) -28680 + (NN) -17584 + (LL) 400
1D Compatibility (HY) -30800 + (ID) 12850
Total energy: -219233.0 ( -107.89 by residue)
QMean score : 0.623
(partial model without unconserved sides chains):
PDB file :
Tito_4XFD.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4XFD-query.scw
PDB file :
Tito_Scwrl_4XFD.pdb
: