Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKPLIDMKNLTKTYTLGGETFKALDDVTFTVEQGEFLSIVGPSGSGKSTLMNMIGCLDVPDEGSYHLDDVDVFKLSDNKLSEIRNKKIGFIFQQFNLLPKLSAFENVELPLIYAGLSVSAREKAAIECLEKVGLLEKRRNLPTQLSGGQQQRVAIARALAGKPQILLADEPTGALDSKTGKEVMGILQELN-RAGNTIVMITHDPTIAS-YGTRSIRIQDGKLFHEEATQA
3TUI Chain:C ((23-249))
---HMIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKAR-RQIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVS-
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) -118726 for 1835 contacts (-64.7/contact) +
2D Compatibility (PS) -24681 + (NN) -10866 + (LL) 196
1D Compatibility (HY) -20800 + (ID) 4350
Total energy: -179227.0 ( -97.67 by residue)
QMean score : 0.495
(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
: