Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSHHWGYSKSNGPENWHKEFPIANGDRQSPVDIDTGTAQHDPSLQPLLICYDKVASKSIVNNGHSFNVEFDDSQDFAVLKEGPLSGSYRLIQFHFHWGSSDGQGSEHTVNKKKYAAELHLVHWNTKYGDFGKAVQHPDGLAVLGIFLKIGPASQGLQKITEALHSIKTKGKRAAFANFDPCSLLPGNLDYWTYPGSLTTPPLLECVTWIVLKEPITVSSEQMSHFRKLNFNSEGEAEELMVDNWRPAQPLKNRKIKASFK
3DC3 Chain:A ((4-260))
---HWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHSFQVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
General information:
TITO was launched using:
RESULT:
Template:
3DC3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -122393 for 2078 contacts (-58.9/contact) +
2D Compatibility (PS) -27625 + (NN) -17031 + (LL) 224
1D Compatibility (HY) -28000 + (ID) 10350
Total energy: -205175.0 ( -98.74 by residue)
QMean score : 0.537
(partial model without unconserved sides chains):
PDB file :
Tito_3DC3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3DC3-query.scw
PDB file :
Tito_Scwrl_3DC3.pdb
: