Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MILRLHEVARS-HGAGRQRYRLRVPALELRAGRQLAIVGPSGCGKSTLLDLLALALAPDPGGRFEFLAGERPQDIAALWRDGRQDRLAALRRQHCGYVLQSGGLLEFLDVRRNIGLPCALLGAPSAE---RVQALAERLEIGDQLDKKPAALSVGQRQRVAIARALAHAPRLLLADEPTAALDPLNAERVMRLLVEQARERGACTVVATHDERLARAAGLEVLAIRWQREADDSVGACLEEVG
3TUI Chain:G ((24-228))
-MIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVL--VDG---QELTTL----SESELTKARRQ-IGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHP
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) -118610 for 1551 contacts (-76.5/contact) +
2D Compatibility (PS) -21754 + (NN) -9827 + (LL) 560
1D Compatibility (HY) -14800 + (ID) 3600
Total energy: -168031.0 ( -108.34 by residue)
QMean score : 0.494
(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
: