Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAKEWGYADHNGPDHWHELFPNAKGENQSPIELNTKEISHDPSLKPWTASYDPGSAKTILNNGKTCRVVFDDTYDRSMLRGGPLAAPYRLRQFHLHWGSSDDHGSEHSVDGVKYAAELHLVHWNSKYNSYATALKHADGIAVVGVFLKIGREKGEFQLLLDALDKIKTKGKEAPFNNFNPSCLFPACRDYWTYHGSFTTPPCEECIVWLLLKEPITVSSDQIAKLRTLYSSAENEPPVPLVRNWRPPQPIKGRIVKASFK
3DBU Chain:A ((4-260))
---HWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHSFQVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
General information:
TITO was launched using:
RESULT:
Template:
3DBU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -108472 for 2083 contacts (-52.1/contact) +
2D Compatibility (PS) -28101 + (NN) -23986 + (LL) 416
1D Compatibility (HY) -22800 + (ID) 7300
Total energy: -190243.0 ( -91.33 by residue)
QMean score : 0.506
(partial model without unconserved sides chains):
PDB file :
Tito_3DBU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3DBU-query.scw
PDB file :
Tito_Scwrl_3DBU.pdb
: