Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNSAKLIDHTLLKPESTRTQIDQIIDEAKAYHFKSVCVNPTHVKYAAERLADSEVLVCTVIGFPLGASTTATKAFETEDAIQNGADEIDMVINIGALKDGRFDDVQQDIEAVVKAAKGHTVKVIIETVLLDHDEIVKASELTKVAGADFVKTSTGFAGGGATAEDVKLMK---DTVGADVEVKASGGVRNLEDFNKMVEAGATRIGASAGVQIMQGLEADSDY
3OA3 Chain:B ((59-269))
---AQIIDHTQLSLSATGSQIDVLCAEAKEYGFATVCVRPDYVSRAVQYLQGTQVGVTCVIGFHEGTYSTDQKVSEAKRAMQNGASELDMVMNYPWLSEKRYTDVFQDIRAVRLAAKDAILKVILETSQLTADEIIAGCVLSSLAGADYVKTSTGFNGPGASIENVSLMSAVCDSLQSETRVKASGGIRTIEDCVKMVRAGAERLGASAGVKIV---------
General information:
TITO was launched using:
RESULT:
Template:
3OA3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -93920 for 1766 contacts (-53.2/contact) +
2D Compatibility (PS) -23269 + (NN) -8900 + (LL) 384
1D Compatibility (HY) -18000 + (ID) 5300
Total energy: -149005.0 ( -84.37 by residue)
QMean score : 0.577
(partial model without unconserved sides chains):
PDB file :
Tito_3OA3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3OA3-query.scw
PDB file :
Tito_Scwrl_3OA3.pdb
: