Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSFNTEVQPGICMEPDAITQEYVFNHTMLRVKDPKRSLDFYSRVLGMRLLRRLDFEEGRFSLYFLAMTRGEEVPDAVDERQRYTFGRQSVLELTHNWGSESDDSQ-YHNGNQDPRGFGHICFSVPDLVAACERFETLGVNFVKPLDRG-MKNVAFISDPDGYWVEIVQASLNGEMGRG
4KYK Chain:B ((20-175))
-----------CSDPDPSTKDFLLQQTMLRIKDPKKSLDFYTRVLGLTLLQKLDFPAMKFSLYFLAYEDKNDIPKDKSEKTAWTFSRKATLELTHNWGTEDDETQSYHNGNSDPRGFGHIGIAVPDVYSACKRFEELGVKFVKKPDDGKMKGLAFIQDPDGYWIEIL-----------
General information:
TITO was launched using:
RESULT:
Template:
4KYK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -75439 for 1022 contacts (-73.8/contact) +
2D Compatibility (PS) -16919 + (NN) -10431 + (LL) 820
1D Compatibility (HY) -18000 + (ID) 4550
Total energy: -124519.0 ( -121.84 by residue)
QMean score : 0.477
(partial model without unconserved sides chains):
PDB file :
Tito_4KYK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4KYK-query.scw
PDB file :
Tito_Scwrl_4KYK.pdb
: