Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDSRQSAMVKLFLASYDDFKARLKRRLGSEDLACDVLHETYLRVDRLDDA-LEVKKPQAYLFRIALNIAADRREGDARLLTGEEVAELLQVADEGLDPERIVGGHAEIRRLLEALCELPARRRQILIASRLEETPHAEISRRFGISTRTVEKELKAALWFCAERLERKVIQRFGPGAGKPS
3N0R Chain:A ((20-167))
-----EMHLLARLAPHLPYIRRYARALTGDQATGDHYVRVALEALAAGELVLDANLSPRVALYRVFHAIWLSSGA----GHDQG---------------------LHAGDDAAQRLMRIAPRSRQAFLLTALEGFTPTEAAQILDCDFGEVERLIGDAQAEIDAELATEVLIIEDEPVIAAD
General information:
TITO was launched using:
RESULT:
Template:
3N0R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -27335 for 1016 contacts (-26.9/contact) +
2D Compatibility (PS) -15135 + (NN) -6017 + (LL) 1596
1D Compatibility (HY) -1600 + (ID) 850
Total energy: -49341.0 ( -48.56 by residue)
QMean score : 0.486
(partial model without unconserved sides chains):
PDB file :
Tito_3N0R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3N0R-query.scw
PDB file :
Tito_Scwrl_3N0R.pdb
: