Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAEVKEYKQLNGLALAYMGDAVYEKFIREYLLA-AGKTKPNQLHKTATKFVSAKGQAVALKAMIAEGFLTEEEDRIAKRGRNAKSYTVPKNTDPGTYSMSTSFEAVLGYLYLAGEMER--LQEWMEKALEIVEKGVETN
2NUG Chain:A ((34-138))
---------EHYETLEFLGDALVNFFIVDLLVQYSPNKREGFLSPLKAYLISEEFFNLLAQKLELHK--------FIRIKRGK----------INETIIGDVFEALWAAVYIDSGRDANFTRELFYKLFKED-------
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) -37861 for 670 contacts (-56.5/contact) +
2D Compatibility (PS) -11064 + (NN) -5117 + (LL) 2244
1D Compatibility (HY) -6400 + (ID) 800
Total energy: -58998.0 ( -88.06 by residue)
QMean score : 0.382
(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
: