Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
LKGLKKMKYSIQFSDAIHILAYIEIF--KNTNLLSS-EIIAGSVKTNPANIRRIMSNLKKANLITTQTGKAN-PILTKPPEEISLLDVYKSIEGNTNLIHVDPKTNPDCIVGANIQQVLSSKYELLQQKIELEMDEIKLDSIIHDISVLESKDRPQNNEFITKFL
3BWG Chain:A ((13-80))
-----------------EIETYIEEHQLQQGDKLPVLETLMAQFEVSKSTITKSLELLEQKGAIFQVRG-SGIFVRKHKR-------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3BWG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -33372 for 310 contacts (-107.7/contact) +
2D Compatibility (PS) -6375 + (NN) -2092 + (LL) 7648
1D Compatibility (HY) -1200 + (ID) 500
Total energy: -35891.0 ( -115.78 by residue)
QMean score : 0.520
(partial model without unconserved sides chains):
PDB file :
Tito_3BWG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BWG-query.scw
PDB file :
Tito_Scwrl_3BWG.pdb
: