Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRKPLIAGNWKMNLNHYEAIALVQKIAFSLPDKYYD--RVDVAVIPPFTDLRSVQTLVDGDKLRLTYGAQDLSPHDSGAYTGDVSGAFLAKLGCSYVVVGHSERRTYHNEDDALVAAKAATALKHGLTPIVCIGEHLDVREAGNHVAHNIEQLRGSLAGLLAEQIGSVVIAYEPVWAIGTGRVASAADAQEVCAAIRKELASLASPRIADTVRVLYGGSVNAKNVGDIVAQDDVDGGLVGGASLDGEHFATLAAIAAGGPLP
2VFE Chain:A ((2-236))
-ARKYFVAANWKCN----GTLESIKSLTNSFNNLDFDPSKLDVVVFPVSVHYDHTRKLLQS---KFSTGIQNVSKFGNGSYTGEVSAEIAKDLNIEYVIIGHSERRKYFHETDEDVREKLQASLKNNLKAVVCFGESLEQREQNKTIEVITKQVKAFVD--LIDNFDNVILVYEPLWAIGTGKTATPEQAQLVHKEIRKIVKDTCGEKQANQIRILYGGSVNTENCSSLIQQEDIDGFLVGNASL------------------
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) -112890 for 1867 contacts (-60.5/contact) +
2D Compatibility (PS) -26300 + (NN) -18366 + (LL) 1344
1D Compatibility (HY) -19600 + (ID) 4300
Total energy: -180112.0 ( -96.47 by residue)
QMean score : 0.552
(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
: