Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDISSTEIWDAIRRNSYLLYYQPKVDAKTNKIIGFEGLVR-LKTATTILAPIDFFDDIVLLNATREMQDFVAETAIKQINQL------GGRFSISINIPAHYVASSTYMTFLHDYVKEHLKYPECLEIEIIERGEITELAIADKNLRKIKDLGVKVSMDDFGKGYSSLAYLRSLPIDIVKTDMSFIALLKTDRKQQIIIRAIVNLCHDLGGKVVTEGVEDMEQVEKLREMKVDYFQGYYFSRPLPMEEIKQKYSIV
3U2E Chain:A ((13-252))
----------AIGRGEITPYFQPIVRLSTGALSGFEALARWIHPRRGMLPPDEFLPLIEEMGLMSELGAHMMHAAAQQLSTWRAAHPAMGNLTVSVNLSTGEIDRPGLVADVAETLRVNRLPRGALKLEVTESDIMRDPERAAVILKTLRDAGAGLALDDFGTGFSSLSYLTRLPFDTLKIDRYFVRTMGNNAGSAKIVRSVVKLGQDLDLEVVAEGVENAEMAHALQSLGCDYGQGFGYAPALSPQEAE------
General information:
TITO was launched using:
RESULT:
Template:
3U2E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -103441 for 1891 contacts (-54.7/contact) +
2D Compatibility (PS) -24944 + (NN) -9189 + (LL) 1364
1D Compatibility (HY) -12800 + (ID) 3300
Total energy: -152310.0 ( -80.54 by residue)
QMean score : 0.472
(partial model without unconserved sides chains):
PDB file :
Tito_3U2E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3U2E-query.scw
PDB file :
Tito_Scwrl_3U2E.pdb
: