Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNIAIFASGSGSNFQALVDDEF---IKPYVKLLVCDKPNAYVLERANKHDIPVFLFEAKNYPDKEAFETEILLELRRLEIDLLVLAGYMRLIGPTLLAEFPEQIVNLHPSLLPEFKGKDAIGQAIQANVSGTGVTAHFVDAGMDTGPIIDQVKVTIETAETTDTLAEKIHQVEHIFYPKVIR----GLIQNGGND
1NJS Chain:B ((3-194))
--VAVLISGTGSNLQALIDSTREPNSSAQIDIVISNKAAVAGLDKAERAGIPTRVINHKLYKNRVEFDSAIDLVLEEFSIDIVCLAGFMRILSGPFVQKWNGKMLNIHPSLLPSFKGSNAHEQALETGVTVTGCTVHFVAEDVDAGQIILQEAVPVKRGDTVATLSERVKLAEHKIFPAALQLVASGTVQLGEN-
General information:
TITO was launched using:
RESULT:
Template:
1NJS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -146447 for 1472 contacts (-99.5/contact) +
2D Compatibility (PS) -20672 + (NN) -14714 + (LL) 52
1D Compatibility (HY) -15600 + (ID) 3250
Total energy: -200631.0 ( -136.30 by residue)
QMean score : 0.536
(partial model without unconserved sides chains):
PDB file :
Tito_1NJS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NJS-query.scw
PDB file :
Tito_Scwrl_1NJS.pdb
: