Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSSPYILVLYYSRHGATAEMARQIARGVEQ-GGFEARVRTVPAVSTECEAVAPDI------PAEGALYATLEDLKNCAGLALGSPTRFGNMASPLKYFLDGTSSLWLTGSLVGKPAAVFTSTASLHGGQETTQLSMLLPLLHHGMLVLGIPYSEPALLETRG--GGTPYGASHFAGADGKRSLDEHELTLCRALGKRLAETAGKLGS
3B6J Chain:B ((4-196))
-----VLVLYYSMYGHIETMARAVAEGASKVDGAEVVVKRVP------ETMPPQLFEKAGGKTQTAPVATPQELADYDAIIFGTPTRFGNMSGQMRTFLDQTGGLWASGALYGKLASVFSSTGT-GGGQEQTITSTWTTLAHHGMVIVPIGYAAQELFDVSQVRGGTPYGATTIAGGDGSRQPSQEELSIARYQGEYVAGLAVKLNG
General information:
TITO was launched using:
RESULT:
Template:
3B6J.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -90155 for 1567 contacts (-57.5/contact) +
2D Compatibility (PS) -19751 + (NN) -5679 + (LL) 800
1D Compatibility (HY) -12400 + (ID) 4000
Total energy: -131185.0 ( -83.72 by residue)
QMean score : 0.585
(partial model without unconserved sides chains):
PDB file :
Tito_3B6J.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3B6J-query.scw
PDB file :
Tito_Scwrl_3B6J.pdb
: