Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSSPYILVLYYSRHGATAEMARQIARGVEQ-GGFEARVRTVPAVSTECEAVAPDI------PAEGALYATLEDLKNCAGLALGSPTRFGNMASPLKYFLDGTSSLWLTGSLVGKPAAVFTSTASLHGGQETTQLSMLLPLLHHGMLVLGIPYSEPALLETRG--GGTPYGASHFAGADGKRSLDEHELTLCRALGKRLAETAGKLGS
3B6K Chain:B ((4-196))
-----VLVLYYSMYGHIETMARAVAEGASKVDGAEVVVKRVP------ETMPPQLFEKAGGKTQTAPVATPQELADYDAIIFGTPTRFGNMSGQMRTFLDQTGGLWASGALYGKLASVFSSTGT-GGGQEQTITSTWTTLAHHGMVIVPIGYAAQELFDVSQVRGGTPYGATTIAGGDGSRQPSQEELSIARYQGEYVAGLAVKLNG
General information:
TITO was launched using:
RESULT:
Template:
3B6K.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -89663 for 1597 contacts (-56.1/contact) +
2D Compatibility (PS) -19607 + (NN) -5339 + (LL) 800
1D Compatibility (HY) -12400 + (ID) 4000
Total energy: -130209.0 ( -81.53 by residue)
QMean score : 0.532
(partial model without unconserved sides chains):
PDB file :
Tito_3B6K.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3B6K-query.scw
PDB file :
Tito_Scwrl_3B6K.pdb
: