Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGVLTIEHLTKKIGN----KTILEDVSFKLKRGQIVGLVGANGAGKTTLMKVILGYSSFQSGNFNVINSK----------DSKSNIGALIENPGIYPFMSGYENLKLLNESKN------TQDIDKIVSQLHMDEYIHKKAKTYSLGMKQKLGIAIAFLNEPQFIILDEPMNGLDPKAVRDVRELIVQKS-QEGVTFLISSHILSELVKITNSILIINKGKIVTETSEEELKQFKDNDLENVLLEIIEREDQA
3TUI Chain:C ((23-255))
-HMIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHP------------------
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) -125249 for 1746 contacts (-71.7/contact) +
2D Compatibility (PS) -22937 + (NN) -9951 + (LL) 1728
1D Compatibility (HY) -15200 + (ID) 2450
Total energy: -174059.0 ( -99.69 by residue)
QMean score : 0.620
(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
: