Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRRPLVAGNWKMHGTHSSVAELIKGLRQLALPSGVDVAVMPPCLFISQVIQGLAGKAIDVGAQNSAVEPMQGALTGETAPSQLADVGCSMVLVGHSERRLILGESDEVVSRKFAAAQSCGLVPVLCVGETRAEREAGKTLEVVARQLGSVIDELGVGAFARAVVAYEPVWAIGTGLTASPAQAQEVHAAIRAQLAAENAE-VAKGVRLLYGGSVKAASAAELFGMPDIDGGLVGGASLNADEFGAICRAAGS
2VXN Chain:A ((4-250))
KPQPIAAANWKCNGTTASIEKLVQVFNEHTISHDVQCVVAPTFVHIPLVQAKLRNPKYVISAQNAI-A-KSGAFTGEVSMPILKDIGVHWVILGHSERRTYYGETDEIVAQKVSEACKQGFMVIACIGETLQQREANQTAKVVLSQTSAIAAKLTKDAWNQVVLAYEPVWAIGTGKVATPEQAQEVHLLLRKWVSENIGTDVAAKLRILYGGSVNAANAATLYAKPDINGFLVGGASLKPE-FRDIIDAT--
General information:
TITO was launched using:
RESULT:
Template:
2VXN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -156904 for 2131 contacts (-73.6/contact) +
2D Compatibility (PS) -26654 + (NN) -9945 + (LL) -44
1D Compatibility (HY) -19600 + (ID) 5150
Total energy: -218297.0 ( -102.44 by residue)
QMean score : 0.537
(partial model without unconserved sides chains):
PDB file :
Tito_2VXN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2VXN-query.scw
PDB file :
Tito_Scwrl_2VXN.pdb
: