Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LLKTEHISFQYEDGK---QALTDVSIDLEKGNIIGLIGANGSGKSTLFMQLLGINKPSDGTVYFEGKPLA-YTKKALFALRKKVSIVFQDPDQQIFYSNVRDDVAFALRNLGVSESEVEARVTKVLDIVGAKDFQHKPVQYLSYGQKKRVAIAGALVLDTDWLLLDEPTAGLDPIGKKIMMEIIERLASQ-GKKILISSHDIDLIYEICDYVYMLKDGSVLTDGETSSVFLEKSNIELAGLVQPWLIKLHQQAGYPLFKKEADFFAHTGKVTN
3TUI Chain:G ((24-252))
MIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHFNL-LSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVF-------------------------------------------
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) -143253 for 1832 contacts (-78.2/contact) +
2D Compatibility (PS) -24783 + (NN) -14596 + (LL) 3312
1D Compatibility (HY) -19200 + (ID) 3750
Total energy: -202270.0 ( -110.41 by residue)
QMean score : 0.565
(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
: