Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MARKVVVVDDEKPIADILEFNLKKEGYDVYCAYDGNDAVDLIYEEEPDIVLLDIMLPGRDGMEVCREVRKKYEMPIIMLTAKDSEIDKVLGLELGADDYVTKPFSTRELIARVKANLRRHYSQPAQDTGNVTNEITIKDIVIYPDAYSIKKRGEDIELTHREFELFHYLSKHMGQVMTREHLLQTVWGYDYFGDVRTVDVTIRRLREKIEDDPSHPEYIVTRRGVGYFLQQHE
1NXS Chain:A ((2-119))
--KKILIVDDEKPISDIIKFNMTKEGYEVVTAFNGREALEQFEAEQPDIIILD--LPEIDGLEVAKTIRKTSSVPILMLSAKDSEFDKVIGLELGADDYVTKPFSNRELQARVKALLRRS-----------------------------------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
1NXS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -78679 for 906 contacts (-86.8/contact) +
2D Compatibility (PS) -12766 + (NN) -8491 + (LL) 8676
1D Compatibility (HY) -13200 + (ID) 3600
Total energy: -108060.0 ( -119.27 by residue)
QMean score : 0.719
(partial model without unconserved sides chains):
PDB file :
Tito_1NXS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NXS-query.scw
PDB file :
Tito_Scwrl_1NXS.pdb
: