Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKNKRSQNSPYVTPDNPYLTLEKALGYSFKDKRLLEQALTHKSCKLALNNERLEFLGDAVLGLVIGELLYHKFYQYDEGKLSKLRASIVSAHGFTKLAKAIALQDYLRVSSSEEISKGREKPSILSSAFEALMAGVYLEAGLAKVRKIIQNLLNRAYKRLDLE-----HLFMDYKTALQELTQAQFCVIPTYQLLQEKGPDHHKEFEMALYIQDKMYAT-AKGKSKKEAEQQCAYQALQKLKEAK
2NUF Chain:A ((7-220))
--------------------LEKKLGYTFKDKSLLEKALTHVSYSKKEHYETLEFLGDALVNFFIVDLLVQYSPNKREGFLSPLKAYLISEEFFNLLAQKLELHKFIR------IKRGKINETIIGDVFEALWAAVYIDSG--RDANFTRELFYKLFKEDILSAIKEGRVKKDYKTILQEITQKRWKERPEYRLISVEGPHHKKKFIVEAKIKE--YRTLGEGKSKKEAEQRAAEELIKLLEES-
General information:
TITO was launched using:
RESULT:
Template:
2NUF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -88942 for 1495 contacts (-59.5/contact) +
2D Compatibility (PS) -22239 + (NN) -3551 + (LL) 1392
1D Compatibility (HY) -16000 + (ID) 4350
Total energy: -133690.0 ( -89.42 by residue)
QMean score : 0.436
(partial model without unconserved sides chains):
PDB file :
Tito_2NUF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NUF-query.scw
PDB file :
Tito_Scwrl_2NUF.pdb
: