Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKVIDLKKLQKAYASET----VLNNINLEVFKGEIIGLIGPSGAGKSTLIKTMLGMEKADKGTALVLDTQMPD------RNILNQIGYMAQSDALYESLTALENLLFFGKMKGIQKTELKQQITHISKVVDLENQLDKFVSGYSGGMKRRLSLAIALLGNPTVLILDEPTVGIDPSLRRKIWQELINIKDE-GRSIFITTHVMDEAE-LTSKVALLLRGNIIAFDTPLHLKKQFNVSTIEEVFLKAEGE
3TUZ Chain:D ((24-247))
---MIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHPKTPLAQKFIQSTLHL
General information:
TITO was launched using:
RESULT:
Template:
3TUZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -145712 for 1713 contacts (-85.1/contact) +
2D Compatibility (PS) -22542 + (NN) -5863 + (LL) 336
1D Compatibility (HY) -15200 + (ID) 3750
Total energy: -192731.0 ( -112.51 by residue)
QMean score : 0.502
(partial model without unconserved sides chains):
PDB file :
Tito_3TUZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TUZ-query.scw
PDB file :
Tito_Scwrl_3TUZ.pdb
: