Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIVGEQEARALIKPRPKSSHKGDYGSVLLIGGFYPYGGAIIMAALACVKTGAGLVTVATQSCNIPSLHSQLPEVMAFDSDDYKWLEKSIVQSDVIVIGPGLGVSESSRKILNQTMEKIQSHQSVIIDGSALTLLSEGAFPQTKAKNLVLTPHQKEWERLSGIAVSQQTKENTQTALKSFPKGTILVAKSSHTRIFQDLDEKEIIVGGPYQATGGMGDTLCGMIAGMLAQFKEASPLDKVSVGVYLHSAIAQELSKEAYVVLPTTISDEIPKEMARLSK
3BGK Chain:A ((36-304))
-IIDDLLTKKIIKPRPLNSHKGTFGRVLLIGGNYPYGGAIIMAALACVNSGAGLVTVATHKDNITALHSHLPEAMAFDMVEKDRLSEQITAADVVLMGPGLAEDDLAQTTFDVVWQAIEPKQTLIIDGSAINLLAKRK-AIWPTKQIILTPHQKEWERLSGLTIPEQIEAATQTALAHFPKETILVAKSHQTKIYQGQKIGHIQVGGPYQATGGMGDTLAGMIAGFVAQF-HTDRFEVAAAAVFLHSYIADQLSKEAYVVLPTRISAEITRVMKEMSE
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) -185883 for 2397 contacts (-77.5/contact) +
2D Compatibility (PS) -29098 + (NN) -11106 + (LL) 404
1D Compatibility (HY) -25600 + (ID) 7250
Total energy: -258533.0 ( -107.86 by residue)
QMean score : 0.618
(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
: