Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRDQKLKFLVVDALFAVIIALLAQVAIPLGPIPLTGQTFAIGLAATILGARHGTISVLVYIVLGAVGIPVFQGMTAGIGIIFGPTGGFIIGFIFNAFLTGWLLEKTKFTVPYAIVANILGAIVTLIFGVLWLKVSTGLDWPTAFLTGMVPFIIPGIIKAVFAALLGIIIRDRLIKAKLLRAS
4NB8 Chain:A ((191-268))
-----------------ILVKDNDLALPLGFAPGGDRKQQTRVVDDDVVGRKG-----VYDLIGEHGVPVFEGTIGGEVVREGAYGEKIVANDLSIWLPG----------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4NB8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -39377 for 405 contacts (-97.2/contact) +
2D Compatibility (PS) -8109 + (NN) 923 + (LL) 10680
1D Compatibility (HY) -1600 + (ID) 1100
Total energy: -38583.0 ( -95.27 by residue)
QMean score : 0.007
(partial model without unconserved sides chains):
PDB file :
Tito_4NB8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NB8-query.scw
PDB file :
Tito_Scwrl_4NB8.pdb
: