Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRRPLVAGNWKMHGTHSSVAELIKGLRQLALPSGVDVAVMPPCLFISQVIQGLAGKAIDVGAQNSAVEPMQGALTGETAPSQLADVGCSMVLVGHSERRLILGESDEVVSRKFAAAQSCGLVPVLCVGETRAEREAGKTLEVVARQLGSVIDELGVGAFARAVVAYEPVWAIGTGLTASPAQAQEVHAAIRAQLAAE-NAEVAKGVRLLYGGSVKAASAAELFGMPDIDGGLVGGASLNADEFGAICRAAGS
4MKN Chain:A ((20-265))
--KFFVGGNWKCNGSVANVAKLVDELNAGTIPRGVDVVVAPPFIYIDYVMQHLDRDKYQLSAQNAWIGG-NGAFTGEVSAEQLTDFGVPWVILGHSERRSLFGESNEVVAKKTSHALAAGLGVIACIGETLEQRNSGSVFKVLDAQMDALVDE--VKDWTKVVLAYEPVWAIGTGVVASPEQAQEVHAYLRQYCAKKLGAAVADKLRIIYGGSVSDTNCKDLSKQEDIDGFLVGGASLKGAAFVTICNAAG-
General information:
TITO was launched using:
RESULT:
Template:
4MKN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -140792 for 2064 contacts (-68.2/contact) +
2D Compatibility (PS) -27160 + (NN) -11940 + (LL) 492
1D Compatibility (HY) -24400 + (ID) 5650
Total energy: -209450.0 ( -101.48 by residue)
QMean score : 0.556
(partial model without unconserved sides chains):
PDB file :
Tito_4MKN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4MKN-query.scw
PDB file :
Tito_Scwrl_4MKN.pdb
: