Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MATAPRPLREQYLHFQPISTRWHDNDIYGHVNNVTYYAFFDTAVNTYLIERGGLDIQGGEVIGLVVSSSCDYFAPVAFPQRIEMGLRVARLGNSSVQYELALFLEGQREACAA-GRFVHVFVERRSSRPVAIPQELRDALAALQSSAQ
2NUJ Chain:A ((34-150))
--------------------RFGELDAIGHVNHTAYLRWYESFRLPFLKARHVTDYGPTSPRLVLKQVHCTYLAEMGMGEDYVITGRVSNFRTTSFTMEFACWRLGDAVECTSEGSAVVVLLNRDGSGRYPIPEAGR-----------
General information:
TITO was launched using:
RESULT:
Template:
2NUJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -85123 for 783 contacts (-108.7/contact) +
2D Compatibility (PS) -12249 + (NN) -2464 + (LL) 2556
1D Compatibility (HY) -8400 + (ID) 1400
Total energy: -107080.0 ( -136.76 by residue)
QMean score : 0.306
(partial model without unconserved sides chains):
PDB file :
Tito_2NUJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2NUJ-query.scw
PDB file :
Tito_Scwrl_2NUJ.pdb
: