Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDISSTEIWDAIRRNSYLLYYQPKVDAKTNKIIGFEGLVR-LKTATTILAPIDFFDDIVLLNATREMQDFVAETAIKQINQL------GGRFSISINIPAHYVASSTYMTFLHDYVKEHLKYPECLEIEIIERGEITELAIADKNLRKIKDLGVKVSMDDFGKGYSSLAYLRSLPIDIVKTDMSFIALLKTDRKQQIIIRAIVNLCHDLGGKVVTEGVEDMEQVEKLREMKVDYFQGYYFSRPLPMEEIKQKYSIV
3S83 Chain:A ((10-249))
----------AIGRGEITPYFQPIVRLSTGALSGFEALARWIHPRRGMLPPDEFLPLIEEMGLMSELGAHMMHAAAQQLSTWRAAHPAMGNLTVSVNLSTGEIDRPGLVADVAETLRVNRLPRGALKLEVTESDIMRDPERAAVILKTLRDAGAGLALDDF---FSSLSYLTRLPFDTLKIDRYFVRTMGNNAGSAKIVRSVVKLGQDLDLEVVAEGVENAEMAHALQSLGCDYGQGFGYAPALSPQEAE------
General information:
TITO was launched using:
RESULT:
Template:
3S83.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -126428 for 1852 contacts (-68.3/contact) +
2D Compatibility (PS) -24932 + (NN) -10520 + (LL) 1084
1D Compatibility (HY) -12800 + (ID) 3200
Total energy: -176796.0 ( -95.46 by residue)
QMean score : 0.483
(partial model without unconserved sides chains):
PDB file :
Tito_3S83.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3S83-query.scw
PDB file :
Tito_Scwrl_3S83.pdb
: