Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRKPLIAGNWKMNLNHYEAIALVQKIAFSLPDKYYD--RVDVAVIPPFTDLRSVQTLVDGDKLRLTYGAQDLSPHDSGAYTGDVSGAFLAKLGCSYVVVGHSERRTYHNEDDALVAAKAATALKHGLTPIVCIGEHLDVREAGNHVAHNIEQLRGSLAGLLAEQIGSVVIAYEPVWAIGTGRVASAADAQEVCAAIRKELASLASPRIADTVRVLYGGSVNAKNVGDIVAQDDVDGGLVGGASLDGEHFATLAAIAAGGPLP
2VFE Chain:B ((3-236))
--RKYFVAANWKCN----GTLESIKSLTNSFNNLDFDPSKLDVVVFPVSVHYDHTRKLLQS---KFSTGIQNVSKFGNGSYTGEVSAEIAKDLNIEYVIIGHSERRKYFHETDEDVREKLQASLKNNLKAVVCFGESLEQREQNKTIEVITKQVKAFVD--LIDNFDNVILVYEPLWAIGTGKTATPEQAQLVHKEIRKIVKDTCGEKQANQIRILYGGS------SSLIQQEDIDGFLVGNASL------------------
General information:
TITO was launched using:
RESULT:
Template:
2VFE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113757 for 1799 contacts (-63.2/contact) +
2D Compatibility (PS) -25615 + (NN) -18196 + (LL) 1748
1D Compatibility (HY) -18800 + (ID) 4150
Total energy: -178770.0 ( -99.37 by residue)
QMean score : 0.568
(partial model without unconserved sides chains):
PDB file :
Tito_2VFE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2VFE-query.scw
PDB file :
Tito_Scwrl_2VFE.pdb
: