Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSSPYILVLYYSRHGATAEMARQIARGVEQGGFEARVRTVPAVSTECEAVAPDIPAEGALYATLEDLKNCAGLALGSPTRFGNMASPLKYFLDGTSSLWLTGSLVGKPAAVFTSTASLHGGQETTQLSMLLPLLHHGMLVLGIPYSEPALLETRGGGTPYGASHFAGADGKRSLDEHELTLCRALGKRLAETAGKLGS
2A5L Chain:A ((5-200))
--SPYILVLYYSRHGATAEMARQIARGVEQGGFEARVRTVPAVST-------------ALYATLEDLKNCAGLALGSPTRFGNMASPLKYFLDGTSSLWLTGSLVGKPAAVFTSTASLHGGQETTQLSMLLPLLHHGMLVLGIPY------------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) -98857 for 1464 contacts (-67.5/contact) +
2D Compatibility (PS) -18867 + (NN) -10065 + (LL) 1020
1D Compatibility (HY) -22400 + (ID) 8550
Total energy: -157719.0 ( -107.73 by residue)
QMean score : 0.606
(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
: