Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALIEMSGVTKKYR---RSTTALRNLNLSIQQGEFVYLVGPSGAGKSSLIRLLYREEKLSSGRLKVGEFNLNKLKRRQIPILRRSIGVVFQDYKLLPTKTVYENVAFAMQVIGAKRRHIKKRVPEVLELVGLKHKMRSFPTQLSGGEQQRVAIARAIVNNPKLLIADEPTGNLDPEIAWEIMHLLERINLQ-GTTVLMATHNSQIVNTLRHRVIEIEAGSVIRDEEKGEYGYHD
3TUI Chain:D ((24-254))
--MIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHP
General information:
TITO was launched using:
RESULT:
Template:
3TUI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -140530 for 1871 contacts (-75.1/contact) +
2D Compatibility (PS) -24686 + (NN) -7569 + (LL) 352
1D Compatibility (HY) -21200 + (ID) 4400
Total energy: -198033.0 ( -105.84 by residue)
QMean score : 0.507
(partial model without unconserved sides chains):
PDB file :
Tito_3TUI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TUI-query.scw
PDB file :
Tito_Scwrl_3TUI.pdb
: