Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGAIMLDGKATRDEIFGDLKQRVAALDAAGRTPGLGTILVGDDPGSQAYVRGKHADCAKVGITSIRRDLPADISTATLNETIDELNANPDCTGYIVQLPLPKHLDENAALERVDPAKDADGLHPTNLGRLVLGTPAPLPCTPRGIVHLLRRYDISIAGAHVVVIGRGVTVGRPLGLLLTRRSENATVTLCHTGTRDLPALTRQADIVVAAVGVAHLLTADMVRPGAAVIDVGVSRTDDGLVGDVHPDVWELAGHVSPNPGGVGPLTRAFLLTNVVELAERR
2C2Y Chain:A ((2-281))
-GAIMLDGKATRDEIFGDLKQRVAALDAAGRTPGLGTILVGDDPGSQAYVRGKHADCAKVGITSIRRDLPADISTATLNETIDELNANPDCTGYIVQLPLPKHLDENAALERVDPAKDADGLHPTNLGRLVLGTPAPLPCTPRGIVHLLRRYDISIAGAHVVVIGRGVTVGRPLGLLLTRRSENATVTLCHTGTRDLPALTRQADIVVAAVGVAHLLTADMVRPGAAVIDVGVSRTDDGLVGDVHPDVWELAGHVSPNPGGVGPLTRAFLLTNVVELAERR
General information:
TITO was launched using:
RESULT:
Template:
2C2Y.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -184856 for 2376 contacts (-77.8/contact) +
2D Compatibility (PS) -29900 + (NN) -11053 + (LL) 208
1D Compatibility (HY) -35600 + (ID) 14000
Total energy: -275201.0 ( -115.83 by residue)
QMean score : 0.524
(partial model without unconserved sides chains):
PDB file :
Tito_2C2Y.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2C2Y-query.scw
PDB file :
Tito_Scwrl_2C2Y.pdb
: