Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKELRSKLEKDYGIVFANQELLDTAFTHTSYANEHRLLNISHNERLEFLGDAVLQLLISQYLFTKYPQKAEGDLSKLRSMIVREESLAGFSRLCGFDHYIKLGKGEEKSGGRNRDTILGDLFEAFLGALLLDKG------VEVVHAFVNKVMIPHVEKGTYERV-KDYKTSLQELLQSHGDVKIDYQVTNESGPAHAKEFEVTVSVNQENLSQGIGRSKKAAEQDAAKNALATLQ
2NUE Chain:A ((6-218))
------QLEKKLGYTFKDKSLLEKALTHVSYSKK------EHYETLEFLGDALVNFFIVDLLVQYSPNKREGFLSPLKAYLISEEFFNLLAQKLELHKFIRIKR------GKINETIIGDVFEALWAAVYIDSGRDANFTRELFYKLFKEDILSAIKEG---RVKKDYKTILQEITQKRWKERPEYRLISVEGPHHKKKFIVEAKI-KEYRTLGEGKSKKEAEQRAAEELIKLLE
General information:
TITO was launched using:
RESULT:
Template:
2NUE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -68148 for 1491 contacts (-45.7/contact) +
2D Compatibility (PS) -22361 + (NN) -11180 + (LL) 1312
1D Compatibility (HY) -18800 + (ID) 3800
Total energy: -122977.0 ( -82.48 by residue)
QMean score : 0.462
(partial model without unconserved sides chains):
PDB file :
Tito_2NUE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NUE-query.scw
PDB file :
Tito_Scwrl_2NUE.pdb
: