Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRDQKLKFLVVDALFAVIIALLAQVAIPLGPIPLTGQTFAIGLAATILGARHGTISVLVYIVLGAVGIPVFQGMTAGIGIIFGPTGGFIIGFIFNAFLTGWLLEKTKFTVPYAIVANILGAIVTLIFGVLWLKVSTGLDWPTAFLTGMVPFIIPGIIKAVFAALLGIIIRDRLIKAKLLRAS
4NBF Chain:A ((191-268))
-----------------ILVKDNDLALPLGFAPGGDRKQQTRVVDDDVVGRKG-----VYDLIGEHGVPVFEGTIGGEVVREGAYGEKIVANDISIWLPG----------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4NBF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -36904 for 402 contacts (-91.8/contact) +
2D Compatibility (PS) -8136 + (NN) 471 + (LL) 10680
1D Compatibility (HY) -1600 + (ID) 1100
Total energy: -36589.0 ( -91.02 by residue)
QMean score : -0.034
(partial model without unconserved sides chains):
PDB file :
Tito_4NBF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NBF-query.scw
PDB file :
Tito_Scwrl_4NBF.pdb
: