Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MREYQRLKGFTDN---LELRRRNRATVEHYMRMKGAERLQRHSLFVEDGCAGNWTTESGEPLVFRGHESLRRLAEWLERCFPDWEWHNVRIFETEDPNHFWVECDGRGKALVPGYPQGYCENHYIHSFELENGRIKRNREFMNPMQKLRALGIAVPQIKRDGIPT
3JUP Chain:B ((29-185))
--------NTSENRAQVAARQHNRKIVEQYMHTRGEARLKRHLLFTEDGVGGLWTTDSGQPIAIRGREKLGEHAVWSLQCFPDWVWTDIQIFETQDPNWFWVECRGEGAIVFPGYPRGQYRNHFLHSFRFENGLIKEQREFMNPCEQFRSLGIEVPEVRRDGLPS
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) -31889 for 997 contacts (-32.0/contact) +
2D Compatibility (PS) -16865 + (NN) -8127 + (LL) 964
1D Compatibility (HY) -13600 + (ID) 4100
Total energy: -73617.0 ( -73.84 by residue)
QMean score : 0.587
(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
: