Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
METNLELQDITYQYDSGNKAQIVLRNLSYTFSEGTFYTILGPSGAGKTTLLSIAAGIDKPTSGKLIINKKVLNETMSLQSYRKSLSSI--IFQTYNLIPYMTAVQNVYTAMGIQHSQMKDKRKRAIELLKEVGLTDKQINSPVLKLSGGQQQRVTIARALSGNAPFIFADEPTGNLDHETSEHIIDLFRDLAHKKNKCVVMVTHDNHVASRSDVILNLKGKTLI
3TUI Chain:H ((25-229))
----IKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELT-TLSESELTKARRQIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPS-NLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKR-------------
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) -104988 for 1549 contacts (-67.8/contact) +
2D Compatibility (PS) -22267 + (NN) -9230 + (LL) 1516
1D Compatibility (HY) -16000 + (ID) 3450
Total energy: -154419.0 ( -99.69 by residue)
QMean score : 0.576
(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
: