Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALIEMSGVTKKYR---RSTTALRNLNLSIQQGEFVYLVGPSGAGKSSLIRLLYREEKLSSGRLKVGEFNLNKLKRRQIPILRRSIGVVFQDYKLLPTKTVYENVAFAMQVIGAKRRHIKKRVPEVLELVGLKHKMRSFPTQLSGGEQQRVAIARAIVNNPKLLIADEPTGNLDPEIAWEIMHLLERINLQ-GTTVLMATHNSQIVNTLRHRVIEIEAGSVIRDEEKGEYGYHD
3DHW Chain:C ((1-231))
--MIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDEATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHP
General information:
TITO was launched using:
RESULT:
Template:
3DHW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -147132 for 1857 contacts (-79.2/contact) +
2D Compatibility (PS) -23902 + (NN) -1839 + (LL) 352
1D Compatibility (HY) -21200 + (ID) 4450
Total energy: -198171.0 ( -106.72 by residue)
QMean score : 0.470
(partial model without unconserved sides chains):
PDB file :
Tito_3DHW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3DHW-query.scw
PDB file :
Tito_Scwrl_3DHW.pdb
: