Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKNKRSQNSPYVTPDNPYLTLEKALGYSFKDKRLLEQALTHKSCKLALNNERLEFLGDAVLGLVIGELLYHKFYQYDEGKLSKLRASIVSAHGFTKLAKAIALQDYLRVSSSEEISKGREKPSILSSAFEALMAGVYLEAGLAKVRKIIQNLLNRAYKRLDLE-----HLFMDYKTALQELTQAQFCVIPTYQLLQEKGPDHHKEFEMALYIQDKMYAT-AKGKSKKEAEQQCAYQALQKLKEAK
2NUG Chain:B ((7-220))
--------------------LEKKLGYTFKDKSLLEKALTHVSYSKKEHYETLEFLGDALVNFFIVDLLVQYSPNKREGFLSPLKAYLISEEFFNLLAQKLELHKFIR------IKRGKINETIIGDVFEALWAAVYIDSG--RDANFTRELFYKLFKEDILSAIKEGRVKKDYKTILQEITQKRWKERPEYRLISVEGPHHKKKFIVEAKIKE--YRTLGEGKSKKEAEQRAAEELIKLLEES-
General information:
TITO was launched using:
RESULT:
Template:
2NUG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -96287 for 1512 contacts (-63.7/contact) +
2D Compatibility (PS) -22498 + (NN) -6374 + (LL) 1392
1D Compatibility (HY) -16000 + (ID) 4350
Total energy: -144117.0 ( -95.32 by residue)
QMean score : 0.480
(partial model without unconserved sides chains):
PDB file :
Tito_2NUG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NUG-query.scw
PDB file :
Tito_Scwrl_2NUG.pdb
: