Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNGQRYRETPLDIERLRRLNRATVERYMAMKGAERLQRHSLFVEDGCAGNWTTESGEPLVFRGHESLRRLAEWLERCFPDWEWHNVRIFETEDPNHFWVECDGRGKALVPGYPQGYCENHYIHSFELENGRIKRNREFMNPIQKLRALGIAVPQIKRDGIPT
3JUP Chain:B ((40-185))
----------------RQHNRKIVEQYMHTRGEARLKRHLLFTEDGVGGLWTTDSGQPIAIRGREKLGEHAVWSLQCFPDWVWTDIQIFETQDPNWFWVECRGEGAIVFPGYPRGQYRNHFLHSFRFENGLIKEQREFMNPCEQFRSLGIEVPEVRRDGLPS
General information:
TITO was launched using:
RESULT:
Template:
3JUP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -34386 for 966 contacts (-35.6/contact) +
2D Compatibility (PS) -15930 + (NN) -6328 + (LL) 1068
1D Compatibility (HY) -13600 + (ID) 4050
Total energy: -73226.0 ( -75.80 by residue)
QMean score : 0.638
(partial model without unconserved sides chains):
PDB file :
Tito_3JUP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3JUP-query.scw
PDB file :
Tito_Scwrl_3JUP.pdb
: