Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKIIEVNNVSYHYDK----EHALENIHFQVAKGSFTGLIGPNGSGKSTMLKLILGVLKKQQGSISLFGEKQADF------KDWVKIGFVSQKSNAFNSAFPATVKEVVASGLTKKKGLFKTLNNKDKEDIDYALKRVEMTDYLHRNIGELSGGQQQRVFIARALVSRPELLILDEPTVGVDVENVKAFYELLAELNRTEEMTLLLVTHDLMAVNTYVNHVISI-NKRIIFDGSAHEYQHYLADRELEILAEQRRREDACLDCDASPV
3TUI Chain:C ((23-255))
--HMIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHFNLLSS---RTVFGNVALPLELDNT--P--KDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHP--------------------------
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) -154198 for 1842 contacts (-83.7/contact) +
2D Compatibility (PS) -24047 + (NN) -9327 + (LL) 3020
1D Compatibility (HY) -15200 + (ID) 3400
Total energy: -203152.0 ( -110.29 by residue)
QMean score : 0.495
(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
: