Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSRSQKVILTNMCLIEDNKGRIVMQIRDPKRYSWSGA-ALPGGHIEEGESLYDALVREVHEETGLTISNPKLVGMKHWYTDEGIRYLVFLYKTYDFSGELQSSDEGDVVWIERSQLDKIELAYDMLNLLRVFDEDDISEMFYSKRLEDGFIRKFY
2RRK Chain:A ((5-130))
---SMKMIEVVAAIIERD-GKILLAQR-PAQSDQAGLWEFAGGKVEPDESQRQALVRELREELGIEATVGEYVA-SHQREVSGRIIHLHAWHVPDFHGTLQAHEHQALVWCSPEEALQYPLAPADIPLLEAFMALRAARPAD-------------
General information:
TITO was launched using:
RESULT:
Template:
2RRK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -75128 for 928 contacts (-81.0/contact) +
2D Compatibility (PS) -13515 + (NN) -4919 + (LL) 1200
1D Compatibility (HY) -4000 + (ID) 1900
Total energy: -98262.0 ( -105.89 by residue)
QMean score : 0.454
(partial model without unconserved sides chains):
PDB file :
Tito_2RRK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2RRK-query.scw
PDB file :
Tito_Scwrl_2RRK.pdb
: