Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALVEVEHLTGGYTK----RPVLKDISFAIEEKQIVGLIGLNGAGKSTTIKHITGLMHPKQGTIKINNHQLVEDT----ETYRKQFSYIPETPVLYEELTLKEHLELTGMAYGISEEELHARMTPLLKEFRLEKKLNWFPAHFSKGMKQKVMIMSAFLIEPKLYIIDEPFVGLDPLGIQSLLNWMDEMR-SKGASILMSTHILATAEKYCDTFIIIHQGEIRAEGTLKDLQTNFEMPGASLDEIYIQLTKEEEADEDDI
3TUI Chain:C ((23-256))
-HMIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHPK------------------------
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) -154848 for 1863 contacts (-83.1/contact) +
2D Compatibility (PS) -24426 + (NN) -6746 + (LL) 1872
1D Compatibility (HY) -14400 + (ID) 2950
Total energy: -201498.0 ( -108.16 by residue)
QMean score : 0.539
(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
: