Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAEKKILVVDDEKPIADIVKFNLNKEGFDVYCAYDGDEALELVEEVQPDLILLDIMLPGRDGIEVCREVRKKYDMPIIMVTAKDSEIDKVIGLELGADDYVTKPFSNRELIARVKANLRRHSQVSSSTAEEEENSELEIGSLIIHPDAYVASKRGETIELTHREFELLHYLAKHMGQVMTREHLLQTVWGYDYFGDVRTVDVTVRRLREKIEDNPSHPAWLVTRRGVGYYLRNPEQE
1NXX Chain:A ((2-119))
---KKILIVDDEKPISDIIKFNMTKEGYEVVTAFNGREALEQFEAEQPDIIILDL----IDGLEVAKTIRKTSSVPILMLSAKDSEFDKVIGLELGADDYVTKPFSNRELQARVKALLRRS--------------------------------------------------------------------------------------------------------------------
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) -84820 for 902 contacts (-94.0/contact) +
2D Compatibility (PS) -12493 + (NN) -6875 + (LL) 8972
1D Compatibility (HY) -13200 + (ID) 3900
Total energy: -112316.0 ( -124.52 by residue)
QMean score : 0.762
(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
: