Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIVGEQEARALIKPRPKSSHKGDYGSVLLIGGFYPYGGAIIMAALACVKTGAGLVTVATQSCNIPSLHSQLPEVMAFDSDDYKWLEKSIVQSDVIVIGPGLGVSESSRKILNQTMEKI-QSHQSVIIDGSALTLLSEGAFPQTKAKNLVLTPHQKEWERLSGIAVSQQTKENTQTAL-KSFPKGTILVAKSSHTRIFQDLDEKEIIVGGPYQATGGMGDTLCGMIAGMLAQFKE-ASPLDKVSVGVYLHSAIAQELSKEAYVVLPTTISDEIPKEMARLSK
3BGK Chain:A ((36-311))
-IIDDLLTKKIIKPRPLNSHKGTFGRVLLIGGNYPYGGAIIMAALACVNSGAGLVTVATHKDNITALHSHLPEAMAFDMVEKDRLSEQITAADVVLMGPGLAEDDLA-QTTFDVVWQAIEPKQTLIIDGSAINLLAKRK-AIWPTKQIILTPHQKEWERLSGLTIPEQI-EAATQTALAHFPKETILVAKSHQTKIYQGQKIGHIQVGGPYQATGGMGDTLAGMIAGFVAQFHTDR--FEVAAAAVFLHSYIADQLSKEAYVVLPTRISAEITRVMKEMSE
General information:
TITO was launched using:
RESULT:
Template:
3BGK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -186206 for 2426 contacts (-76.8/contact) +
2D Compatibility (PS) -29730 + (NN) -11166 + (LL) 336
1D Compatibility (HY) -24000 + (ID) 7100
Total energy: -257866.0 ( -106.29 by residue)
QMean score : 0.599
(partial model without unconserved sides chains):
PDB file :
Tito_3BGK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BGK-query.scw
PDB file :
Tito_Scwrl_3BGK.pdb
: