Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
ISKDMLVNDGIRAREVRLIDQDGEQLGVKSKIDALQIAEKANLDLVLVAPTAKPPVARIMDYGKFRFEQQKKDKEARKNQKVIVMKEVRLSPTIDEHDFDTKLRNARKFLEKGDKVKCSIRFKGRAITHKEIGQKVLDRFAKACEDLCTIEQRPK-MDGRSMFLVLAPLHEK
2CRQ Chain:A ((7-102))
----------------------------------------------------------------------------GPKTGPTMTKELVFSSNIGQHDLDTKSKQIQQWIEKKYHVQVTIKRRKDAEQSEEETEEIFNQILQTMPDIATFSSRPKAIRGGTASMCVFRHLSK
General information:
TITO was launched using:
RESULT:
Template:
2CRQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -26334 for 598 contacts (-44.0/contact) +
2D Compatibility (PS) -10203 + (NN) -2801 + (LL) 5848
1D Compatibility (HY) -3600 + (ID) 1100
Total energy: -38190.0 ( -63.86 by residue)
QMean score : 0.678
(partial model without unconserved sides chains):
PDB file :
Tito_2CRQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2CRQ-query.scw
PDB file :
Tito_Scwrl_2CRQ.pdb
: