Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRDQKLKFLVVDALFAVIIALLAQVAIPLGPIPLTGQTFAIGLAATILGARHGTISVLVYIVLGAVGIPVFQGMTAGIGIIFGPTGGFIIGFIFNAFLTGWLLEKTKFTVPYAIVANILGAIVTLIFGVLWLKVSTGLDWPTAFLTGMVPFIIPGIIKAVFAALLGIIIRDRLIKAKLLRAS
3VMH Chain:A ((191-268))
-----------------ILVKDNDLALPLGFAPGGDRKQQTRVVDDDVVGRKG-----VYDLIGEHGVPVFEGTIGGEVVREGAYGEKIVANDISIWLPG----------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3VMH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -40588 for 407 contacts (-99.7/contact) +
2D Compatibility (PS) -7967 + (NN) 589 + (LL) 10680
1D Compatibility (HY) -1600 + (ID) 1100
Total energy: -39986.0 ( -98.25 by residue)
QMean score : -0.013
(partial model without unconserved sides chains):
PDB file :
Tito_3VMH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3VMH-query.scw
PDB file :
Tito_Scwrl_3VMH.pdb
: