Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLLEINHLEKVFRTRFSKEETRALQDVDFKVEQGEFIAIMGESGSGKTTLLNILATLEKPTNGQVILNGEDITKIKEAKLASFRLKNLGFVFQDFNLLDTLSVRDNIYLPLVLDRKRYKEMDHRLSELSSHLRIDDLLDKRPFELSGGQKQRVAIARSLITNPQILLADEPTAALDYRNSEDLLNLFETINLD-GQTILMVTHSANAASH-AKRVLFIKDGRIFHQLYRGNKNNSEFNKDISLTMSAILGGE
3TUZ Chain:D ((24-245))
-MIKLSNITKVFHQ--GTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKAR-RQIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHPKTPLAQKFIQSTLHLD
General information:
TITO was launched using:
RESULT:
Template:
3TUZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -121347 for 1779 contacts (-68.2/contact) +
2D Compatibility (PS) -23588 + (NN) -8753 + (LL) 616
1D Compatibility (HY) -20800 + (ID) 4250
Total energy: -178122.0 ( -100.12 by residue)
QMean score : 0.507
(partial model without unconserved sides chains):
PDB file :
Tito_3TUZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TUZ-query.scw
PDB file :
Tito_Scwrl_3TUZ.pdb
: