Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSSPYILVLYYSRHGATAEMARQIARGVEQ-GGFEARVRTVPAVSTECEAVAPDI------PAEGALYATLEDLKNCAGLALGSPTRFGNMASPLKYFLDGTSSLWLTGSLVGKPAAVFTSTASLHGGQETTQLSMLLPLLHHGMLVLGIPYSEPALLETRG--GGTPYGASHFAGADGKRSLDEHELTLCRALGKRLAETAGKLGS
2R97 Chain:A ((4-196))
-----VLVLYYSMYGHIETMARAVAEGASKVDGAEVVVKRVP------ETMPPQLFEKAGGKTQTAPVATPQELADYDAIIFGTPTRFGNMSGQMRTFLDQTGGLWASGALYGKLASVFSSTGT-GGGQEQTITSTWTTLAHHGMVIVPIGYAAQELFDVSQVRGGTPYGATTIAGGDGSRQPSQEELSIARYQGEYVAGLAVKLNG
General information:
TITO was launched using:
RESULT:
Template:
2R97.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -88749 for 1553 contacts (-57.1/contact) +
2D Compatibility (PS) -19750 + (NN) -6661 + (LL) 800
1D Compatibility (HY) -12400 + (ID) 4000
Total energy: -130760.0 ( -84.20 by residue)
QMean score : 0.572
(partial model without unconserved sides chains):
PDB file :
Tito_2R97.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2R97-query.scw
PDB file :
Tito_Scwrl_2R97.pdb
: