Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLKFENVTKSFKDGNRNIEAVKDTNFEINKGDIIALVGPSGSGKSTFLTMAGALQTPTSGHILINNQDITTMKQKALAKVRMSEIGFILQATNLVPFLTVKQQFTL---LKKKNKNVMSNEDYQQLMSQLGLTSLLNKLPSEISGGQKQRVAIAKALYTNPSIILADEPTAALDTENAIEVIKILRDQAKKRKKACIIVTHD-ERLKAYCDRSYHMKDGVLNLENETVE
3TUI Chain:D ((24-248))
MIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKAR-RQIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRR-VTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGEL-IEQDTV-
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) -101101 for 1786 contacts (-56.6/contact) +
2D Compatibility (PS) -24292 + (NN) -11784 + (LL) 156
1D Compatibility (HY) -21200 + (ID) 4000
Total energy: -162221.0 ( -90.83 by residue)
QMean score : 0.554
(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
: