Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLIQLDQIGRM-KQG-KTI--LKNISWQIAKGDKWILYGLNGAGKTTLLNILNAYEPATTGGVNLFGKMPGKVGYSAET-VRQHIGFVSHSLLEKFQEGERVIDVVISGAFKSIGVYQDID----DEVRNEAHHLLKLVGISAKAQQYIGYLSTGEKQRVMIARALMGQPQVLILDEPAAGLDFIARESLLNILDSLSDSYPTLAMIYVTHFIEEITGNFTKILLLKDGESVQQGLIDDILTSENMSRFFQKNVAVQRWNNRFSMAMLE
3TUZ Chain:C ((24-253))
-MIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMI-------FQHFNLLSSRTV---FGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRL-GLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFS---------------------------
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) -181480 for 1806 contacts (-100.5/contact) +
2D Compatibility (PS) -23996 + (NN) -7512 + (LL) 2952
1D Compatibility (HY) -19600 + (ID) 3500
Total energy: -233136.0 ( -129.09 by residue)
QMean score : 0.422
(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
: