Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSFNTEVQPGICMEPDAITQEYVFNHTMLRVKDPKRSLDFYSRVLGMRLLRRLDFEEGRFSLYFLAMTRGEEVPDAVDERQRYTFGRQSVLELTHNWGSESDDSQ-YHNGNQDPRGFGHICFSVPDLVAACERFETLGVNFVKPLDRG-MKNVAFISDPDGYWVEIVQASLNGEMGRG
4KYH Chain:A ((20-175))
-----------CSDPDPSTKDFLLQQTMLRIKDPKKSLDFYTRVLGLTLLQKLDFPAMKFSLYFLAYEDKNDIPKDKSEKTAWTFSRKATLELTHNWGTEDDETQSYHNGNSDPRGFGHIGIAVPDVYSACKRFEELGVKFVKKPDDGKMKGLAFIQDPDGYWIEIL-----------
General information:
TITO was launched using:
RESULT:
Template:
4KYH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -76052 for 1021 contacts (-74.5/contact) +
2D Compatibility (PS) -16918 + (NN) -10142 + (LL) 820
1D Compatibility (HY) -18000 + (ID) 4550
Total energy: -124842.0 ( -122.27 by residue)
QMean score : 0.450
(partial model without unconserved sides chains):
PDB file :
Tito_4KYH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4KYH-query.scw
PDB file :
Tito_Scwrl_4KYH.pdb
: