Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRCRVYYEDTDSEGVVYHANYLKYCERARSEFFFKQNVL-PENEEGVFVIRSIKADFFTPASLGQVLEIRTQIKELRKVFVVLFQEIYCIQNASLEPMK-PFKVFASEIKFGFVNRSTYSPIAIPKLFKELLSAV
2NUJ Chain:A ((30-156))
-ADRVRFGELDAIGHVNHTAYLRWYESFRLPFLKARHVTDYGPTSPRLVLKQVHCTYLAEMGMGEDYVITGRVSNFRTTSFTMEFACWRLG-------DAVECTSEGSAVVVLLNRDGSGRYPIPEAGRASFVTE
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) -93015 for 884 contacts (-105.2/contact) +
2D Compatibility (PS) -13746 + (NN) -3653 + (LL) 592
1D Compatibility (HY) -4000 + (ID) 1000
Total energy: -114822.0 ( -129.89 by residue)
QMean score : 0.464
(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
: