Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVVRSIGKKMQRISGPNALAVKGRPTQVYGHTHVRLDCRFMADSEFTAPEVTQLAEGLHRALSKLISMLRRGDPNGAAAGDLTLAQLSILVTLLDQGPIRMTDLAAHERVRTPTTTVAIRRLEKIGLVKRSRDPSDLRAVLVDITPQGRAVHGESLANRRAALAALLSQLPRSD----LETLRKALAPLERLASGEPASGPASNSPARKRA
2A61 Chain:A ((32-141))
----------------------------------------------------------------------------------ITPAQFDILQKIYFEGPKRPGELSVLLGVAKSTVTGLVKRLEADGYLTRTPDPADRRAYFLVITRKGEEVIEKVIERRENFIEKITSDLGKEKSSKILDYLKELKGVMER--------------------
General information:
TITO was launched using:
RESULT:
Template:
2A61.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -45771 for 629 contacts (-72.8/contact) +
2D Compatibility (PS) -11698 + (NN) -7923 + (LL) 5344
1D Compatibility (HY) -6000 + (ID) 1650
Total energy: -67698.0 ( -107.63 by residue)
QMean score : 0.665
(partial model without unconserved sides chains):
PDB file :
Tito_2A61.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2A61-query.scw
PDB file :
Tito_Scwrl_2A61.pdb
: