Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSSPYILVLYYSRHGATAEMARQIARGVEQGGFEARVRTVPAVSTECEAVAPDIPAEGALYATLEDLKNCAGLALGSPTRFGNMASPLKYFLDGTSSLWLTGSLVGKPAAVFTSTASLHGGQETTQLSMLLPLLHHGMLVLGIPYSEPALLETRGGGTPYGASHFAGADGKRSLDEHELTLCRALGKRLAETAGKLGS
2A5L Chain:B ((5-200))
--SPYILVLYYSRHGATAEMARQIARGVEQGGFEARVRTVPAVSTE------------ALYATLEDLKNCAGLALGSPTRFGNMASPLKYFLDGTSSLWLTGSLVGKPAAVFTSTASLHGGQETTQLSMLLPLLHHGMLVLGIPYSEP---------TPYGASHFAGADGKRSLDEHELTLCRALGKRLAETAGKLGS
General information:
TITO was launched using:
RESULT:
Template:
2A5L.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -99529 for 1479 contacts (-67.3/contact) +
2D Compatibility (PS) -19450 + (NN) -11493 + (LL) 980
1D Compatibility (HY) -22400 + (ID) 8750
Total energy: -160642.0 ( -108.62 by residue)
QMean score : 0.601
(partial model without unconserved sides chains):
PDB file :
Tito_2A5L.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2A5L-query.scw
PDB file :
Tito_Scwrl_2A5L.pdb
: