Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTLEAKKLGFYHKK---DQWLFKEINLEVAPGQVLGIFGQSGCGKTSLSKVLAGFLHPRSGEVLVDGSNLPN-------KAFRPVQLIQQHPEKTMNPLWPMKKSLEEAY-----------YPSRDLLDAFGIQEKWLNRRPSELSGGELQRFSIVRSLHPETKYLIADEMTTMLDSITQASVWKSLLEIVKDRNLGLIVISHDFAMLEKLCNQCYMIEENRIVSFNGD
3TUI Chain:C ((23-246))
HMIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHFNLL--SSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLG-DKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTV
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) -144462 for 1687 contacts (-85.6/contact) +
2D Compatibility (PS) -21793 + (NN) -7453 + (LL) 232
1D Compatibility (HY) -14000 + (ID) 2700
Total energy: -190176.0 ( -112.73 by residue)
QMean score : 0.530
(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
: