Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTGHHCWGYGQDDGPSNWHKLYPIAQGDRQSPINIISSQAVYSPSLQPLELFYEACMSLSITNNGHSVQVDFNDSDDRTVVSGGPLEGPYRLKQLHFHWGKKRDMGSEHTVDGKSFPSELHLVHWNAKKYSTFGEAAAAPDGLAVVGVFLETGDEHPSMNRLTDALYMVRFKDTKAQFSCFNPKCLLPTSRHYWTYPGSLTTPPLSESVTWIVLREPIRISERQMEKFRSLLFTSEDDERIHMVDNFRPPQPLKGRVVKASFQA
3OKV Chain:A ((4-260))
-----HWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHSFQVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNT-KYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK-
General information:
TITO was launched using:
RESULT:
Template:
3OKV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -111998 for 2102 contacts (-53.3/contact) +
2D Compatibility (PS) -28136 + (NN) -19121 + (LL) 384
1D Compatibility (HY) -21200 + (ID) 7200
Total energy: -187271.0 ( -89.09 by residue)
QMean score : 0.495
(partial model without unconserved sides chains):
PDB file :
Tito_3OKV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3OKV-query.scw
PDB file :
Tito_Scwrl_3OKV.pdb
: