Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKQILVVDDDRHILKLVGHYLRAEGFHVLEASDGVEAEKIVETEQVHLAVIDVMMPNMDGFELCQKMR--ASYPDIPVIMLTAKDALADKSRGFEVGTDDYVTKPFEPEELIFRIRALLRRSNQASEVKINIGNITIDQKSYGIKIGNQERMIPVKEFELLYQLASYPGRIFTREELIERIWQRDYDGSDRTVDVHIKRLRDHFDEEKDGIRIVTVRGVGYKLEETR
2JBA Chain:B ((3-122))
-RRILVVEDEAPIREMVCFVLEQNGFQPVEAEDYDSAVNQLNEPWPDLILLAWMLPGGSGIQFIKHLKRESMTRDIPVVMLTARGEEEDRVRGLETGADDCITKPFSPKELVARIKAVMRR----------------------------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
2JBA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -91663 for 892 contacts (-102.8/contact) +
2D Compatibility (PS) -12973 + (NN) -8491 + (LL) 7684
1D Compatibility (HY) -10400 + (ID) 2200
Total energy: -118043.0 ( -132.34 by residue)
QMean score : 0.624
(partial model without unconserved sides chains):
PDB file :
Tito_2JBA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2JBA-query.scw
PDB file :
Tito_Scwrl_2JBA.pdb
: