Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MILRLHEVARSHGAG-RQRYRLRVPALELRAGRQLAIVGPSGCGKSTLLDLLALALAPDPGGRFEFLAGERPQDIAALWRDGRQDRLAALRRQHCGYVLQSGGLLEFLDVRRNIGLPCALLGA---PSAERVQALAERLEIGDQLDKKPAALSVGQRQRVAIARALAHAPRLLLADEPTAALDPLNAERVMRLLVEQARERGACTVVATHDERLARAAGLEVLAIRWQREADDSVGACLEEVG
3TUI Chain:C ((23-250))
HMIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTE-GSVLVDG----QELTTLS----ESELTK-ARRQIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHP
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) -141102 for 1847 contacts (-76.4/contact) +
2D Compatibility (PS) -23956 + (NN) -9006 + (LL) -152
1D Compatibility (HY) -12800 + (ID) 3450
Total energy: -190466.0 ( -103.12 by residue)
QMean score : 0.467
(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
: