Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSFNTEVQPGICMEPDAITQEYVFNHTMLRVKDPKRSLDFYSRVLGMRLLRRLDFEEGRFSLYFLAMTRGEEVPDAVDERQRYTFGRQSVLELTHNWGSESDDSQ-YHNGNQDPRGFGHICFSVPDLVAACERFETLGVNFVKPLDRG-MKNVAFISDPDGYWVEIVQASLNGEMGRG
3W0U Chain:A ((17-178))
-----EAALSCCSDADPSTKDFLLQQTMLRVKDPKKSLDFYTRVLGMTLIQKCDFPIMKFSLYFLAYEDKNDIPKEKDEKIAWALSRKATLELTHNWGTEDDETQSYHNGNSDPRGFGHIGIAVPDVYSACKRFEELGVKFVKKPDDGKMKGLAFIQDPDGYWIEIL-----------
General information:
TITO was launched using:
RESULT:
Template:
3W0U.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -75126 for 1027 contacts (-73.2/contact) +
2D Compatibility (PS) -17401 + (NN) -10558 + (LL) 512
1D Compatibility (HY) -18000 + (ID) 4500
Total energy: -125073.0 ( -121.78 by residue)
QMean score : 0.467
(partial model without unconserved sides chains):
PDB file :
Tito_3W0U.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3W0U-query.scw
PDB file :
Tito_Scwrl_3W0U.pdb
: