Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDISSTEIWDAIRRNSYLLYYQPKVDAKTNKIIGFEGLVRLK-TATTILAPIDFFDDIVLLNATREMQDFVAETAIKQINQLG------GRFSISINIPAHYVASSTYMTFLHDYVKEHLKYPECLEIEIIERGEITELAIADKNLRKIKDLGVKVSMDDFGKGYSSLAYLRSLPIDIVKTDMSFIALLKTDRKQQIIIRAIVNLCHDLGGKVVTEGVEDMEQVEKLREMKVDYFQGYYFSRPLPMEEIKQKYSIV
3S83 Chain:A ((4-254))
----EADLRGAIGRGEITPYFQPIVRLSTGALSGFEALARWIHPRRGMLPPDEFLPLIEEMGLMSELGAHMMHAAAQQLSTWRAAHPAMGNLTVSVNLSTGEIDRPGLVADVAETLRVNRLPRGALKLEVTESDIMRDPERAAVILKTLRDAGAGLALDDF---FSSLSYLTRLPFDTLKIDRYFVRTMGNNAGSAKIVRSVVKLGQDLDLEVVAEGVENAEMAHALQSLGCDYGQGFGYAPALSPQEAEVYLNE-
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) -129851 for 1957 contacts (-66.4/contact) +
2D Compatibility (PS) -26402 + (NN) -12121 + (LL) 220
1D Compatibility (HY) -12800 + (ID) 3200
Total energy: -184154.0 ( -94.10 by residue)
QMean score : 0.515
(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
: