Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKQILVVDDDRHILKLVGHYLRAEGFHVLEASDGVEAEKIVETEQVHLAVIDVMMPNMDGFELCQKMRASYPDIPVIMLTAKDALADKSRGFEVGTDDYVTKPFEPEELIFRIRALLRRSNQASEVKINIGNITIDQKSYGIKIGNQERMIPVKEFELLYQLASYPGRIFTREELIERIWQRDYDGSDRTVDVHIKRLRDHFDEEKDGIRIVTVRGVGYKLEETR
1NXO Chain:A ((2-120))
-KKILIVDDEKPISDIIKFNMTKEGYEVVTAFNGREALEQFEAEQPDIIILDLM---IDGLEVAKTIRKTS-SVPILMLSAKDSEFDKVIGLELGADDYVTKPFSNRELQARVKALLRRSQ--------------------------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
1NXO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -80765 for 916 contacts (-88.2/contact) +
2D Compatibility (PS) -13012 + (NN) -9625 + (LL) 7640
1D Compatibility (HY) -10000 + (ID) 2550
Total energy: -108312.0 ( -118.24 by residue)
QMean score : 0.646
(partial model without unconserved sides chains):
PDB file :
Tito_1NXO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1NXO-query.scw
PDB file :
Tito_Scwrl_1NXO.pdb
: