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
3TUI Chain:C ((24-253))
-MIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMI-------FQHFNLLSSRTV---FGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRL-GLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFS---------------------------
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) -171237 for 1800 contacts (-95.1/contact) +
2D Compatibility (PS) -23990 + (NN) -9518 + (LL) 2952
1D Compatibility (HY) -19600 + (ID) 3500
Total energy: -224893.0 ( -124.94 by residue)
QMean score : 0.461
(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
: