Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLIQLDQIGRMKQG----KTILKNISWQIAKGDKWILYGLNGAGKTTLLNILNAYEPATTGGVNLFGKMPGKVGYS-AETVRQHIGFVSHSLLEKFQEGERVIDVVISGAFKSIGVYQDIDDEVRNEAHHLLKLVGISAKAQQYIGYLSTGEKQRVMIARALMGQPQVLILDEPAAGLDFIARESLLNILDSLSDSYPTLAMIYVTHFIEEITGNFTKILLLKDGESVQQGLIDDILTSENMSRFFQKNVAVQRWNNRFSMAMLE
3TUI Chain:C ((23-255))
HMIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHFN-LLS-SRTVFGNVALPLELDNTP----KDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRR-LGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHP-------------------------
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) -159206 for 1885 contacts (-84.5/contact) +
2D Compatibility (PS) -24652 + (NN) -8304 + (LL) 2996
1D Compatibility (HY) -16400 + (ID) 3150
Total energy: -208716.0 ( -110.72 by residue)
QMean score : 0.439
(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
: