Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MATAPRPLREQYLHFQPISTRWHDNDIYGHVNNVTYYAFFDTAVNTYLIERGGLDIQGGEVIG-LVVSSSCDYFAPVAFPQRIEMGLRVARLGNSSVQYELALFLEGQ-REACAAGRFVHVFVERRSSRPVAIPQELRDALAALQSSAQ
2NUJ Chain:A ((22-159))
--------PAPWTFGLADRVRFGELDAIGHVNHTAYLRWYESFRLPFLKA-RHVTDYGPTSPRLVLKQVHCTYLAEMGMGEDYVITGRVSNFRTTSFTMEFACWRLGDAVECTSEGSAVVVLLNRDGSGRYPIPEAGRASFVTEDGV--
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) -93871 for 993 contacts (-94.5/contact) +
2D Compatibility (PS) -14539 + (NN) -2289 + (LL) 908
1D Compatibility (HY) -6800 + (ID) 1350
Total energy: -117941.0 ( -118.77 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
: