Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAKEWGYADHNGPDHWHELFPNAKGENQSPIELNTKEISHDPSLKPWTASYDPGSAKTILNNGKTCRVVFDDTYDRSMLRGGPLAAPYRLRQFHLHWGSSDDHGSEHSVDGVKYAAELHLVHWNSKYNSYATALKHADGIAVVGVFLKIGREKGEFQLLLDALDKIKTKGKEAPFNNFNPSCLFPACRDYWTYHGSFTTPPCEECIVWLLLKEPITVSSDQIAKLRTLYSSAENEPPVPLVRNWRPPQPIKGRIVKASFK
3OKV Chain:A ((4-260))
---HWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHSFQVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
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) -105943 for 2102 contacts (-50.4/contact) +
2D Compatibility (PS) -28174 + (NN) -23775 + (LL) 416
1D Compatibility (HY) -22800 + (ID) 7300
Total energy: -187576.0 ( -89.24 by residue)
QMean score : 0.497
(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
: