Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKQILVVDDDRHILKLVGHYLRAEGFHVLEASDGVEAEKIVETEQVHLAVIDVMMPNMDGFELCQKMRASYPDIPVIMLTAKDALADKSRGFEVGTDDYVTKPFEPEELIFRIRALLRRSNQASEVKINIGNITIDQKSYGIKIGNQERMIPVKEFELLYQLASYPGRIFTREELIERIWQRDYDGSDRTVDVHIKRLRDHFDEEKDGIRIVTVRGVGYKLEETR
1NXP Chain:A ((2-119))
-KKILIVDDEKPISDIIKFNMTKEGYEVVTAFNGREALEQFEAEQPDIIILDLMLPEIDGLEVAKTIRKTS-SVPILMLSAKDSEFDKVIGLELGADDYVTKPFSNRELQARVKALLRRS---------------------------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
1NXP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -75690 for 936 contacts (-80.9/contact) +
2D Compatibility (PS) -13167 + (NN) -9268 + (LL) 7572
1D Compatibility (HY) -10400 + (ID) 2600
Total energy: -103553.0 ( -110.63 by residue)
QMean score : 0.537
(partial model without unconserved sides chains):
PDB file :
Tito_1NXP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NXP-query.scw
PDB file :
Tito_Scwrl_1NXP.pdb
: