Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLLEVKHVKKVYGKGLNATTALNQMNLSVGAGEFVAIMGESGSGKSTLLNLIASFDGLTEGDIIVDGAHLNNMKNKSKALYRQQMVGFVFQDFNLLPTMTNKENIMMPLILAGAKRKDIEQRVHQLAVQLHLEGFLNKYPSEISGGQKQRIAIARALVTKPTILLADEPTGALDSKTSKALMMLFQEIH-QLEQTILMVTHS-NIDASYAERVIFIKDGRLYH-----EIYRGEESQLAFQQRITDSLALVNGGSVNI
3TUI Chain:D ((24-270))
-MIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQ-IGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHPKTPLA-QKFIQSTLHL--------
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) -153531 for 1942 contacts (-79.1/contact) +
2D Compatibility (PS) -26389 + (NN) -10585 + (LL) 604
1D Compatibility (HY) -23600 + (ID) 4350
Total energy: -217851.0 ( -112.18 by residue)
QMean score : 0.452
(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
: