Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVLIAEDEEQMSRVLSTAISHQGYVVDVAYDGQTAIDLANQNAYDVMVMDVMMPVKTGVEAVKEIRQSGNKSHIIMLTAMAEIDDRVTGLDAGADDYLTKPFSLKELLARLRSMSRRLEDFTPNVLSLGRVTLSVGEQELQCENTIRLAGKEAKMLAFFMLNHDKELSTQQLFEHVWGADKDQEDVDEGYVFIYVSYLRQKLQAISANLEIIGQEGSSYKLSEINGG
1NXX Chain:A ((3-118))
-KILIVDDEKPISDIIKFNMTKEGYEVVTAFNGREALEQFEAEQPDIIILDL----IDGLEVAKTIRKTSS-VPILMLSAKDSEFDKVIGLELGADDYVTKPFSNRELQARVKALLRRS-------------------------------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
1NXX.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -79854 for 878 contacts (-90.9/contact) +
2D Compatibility (PS) -12220 + (NN) -6449 + (LL) 8884
1D Compatibility (HY) -8400 + (ID) 2100
Total energy: -100139.0 ( -114.05 by residue)
QMean score : 0.555
(partial model without unconserved sides chains):
PDB file :
Tito_1NXX.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NXX-query.scw
PDB file :
Tito_Scwrl_1NXX.pdb
: