Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MCAFFKTDTLKSCAIDQNAGSKKSATLQIARRVKKGIGDFPKTEKGNSLIVGYPQIGLSPFLFSHVSGHVLRLPENKSTELWEDCQILNKGHCVEMRK
3PQC Chain:A ((10-40))
-------------------------------KVARTPGDYPPPLKGEVAFVGRSNVGKSSLLNALFNRKIAFVSKTPGKTRSINFYLVNSKYYFVDLP
General information:
TITO was launched using:
RESULT:
Template:
3PQC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -5709 for 100 contacts (-57.1/contact) +
2D Compatibility (PS) -3265 + (NN) -2824 + (LL) 2328
1D Compatibility (HY) -1200 + (ID) 550
Total energy: -11220.0 ( -112.20 by residue)
QMean score : 0.336
(partial model without unconserved sides chains):
PDB file :
Tito_3PQC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PQC-query.scw
PDB file :
Tito_Scwrl_3PQC.pdb
: