Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTGHHCWGYGQDDGPSNWHKLYPIAQGDRQSPINIISSQAVYSPSLQPLELFYEACMSLSITNNGHSVQVDFNDSDDRTVVSGGPLEGPYRLKQLHFHWGKKRDMGSEHTVDGKSFPSELHLVHWNAKKYSTFGEAAAAPDGLAVVGVFLETGDEHPSMNRLTDALYMVRFKDTKAQFSCFNPKCLLPTSRHYWTYPGSLTTPPLSESVTWIVLREPIRISERQMEKFRSLLFTSEDDERIHMVDNFRPPQPLKGRVVKASFQA
3K34 Chain:A ((3-260))
----HHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNT-KYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK-
General information:
TITO was launched using:
RESULT:
Template:
3K34.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -112511 for 2136 contacts (-52.7/contact) +
2D Compatibility (PS) -27798 + (NN) -17093 + (LL) 340
1D Compatibility (HY) -21200 + (ID) 7150
Total energy: -185412.0 ( -86.80 by residue)
QMean score : 0.516
(partial model without unconserved sides chains):
PDB file :
Tito_3K34.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3K34-query.scw
PDB file :
Tito_Scwrl_3K34.pdb
: