Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSFNTEVQPGICMEPDAITQEYVFNHTMLRVKDPKRSLDFYSRVLGMRLLRRLDFEEGRFSLYFLAMTRGEEVPDAVDERQRYTFGRQSVLELTHNWGSESDDSQ-YHNGNQDPRGFGHICFSVPDLVAACERFETLGVNFVKPLDRGMKNVAFISDPDGYWVEIVQASLNGEMGRG
4X2A Chain:B ((20-175))
-----------CSDPDPSTKDFLLQQTMLRIKDPKKSLDFYTRVLGLTLLQKLDFPAMKFSLYFLAYEDKNDIPKDKSEKTAWTFSRKATLELTHNWGTEDDETQSYHNGNSDPRGFGHIGIAVPDVYSACKRFEELGVKFVKKPDDGMKGLAFIQDPDGYWIEIL-----------
General information:
TITO was launched using:
RESULT:
Template:
4X2A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -83986 for 1024 contacts (-82.0/contact) +
2D Compatibility (PS) -16882 + (NN) -10570 + (LL) 820
1D Compatibility (HY) -18000 + (ID) 4550
Total energy: -133168.0 ( -130.05 by residue)
QMean score : 0.494
(partial model without unconserved sides chains):
PDB file :
Tito_4X2A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4X2A-query.scw
PDB file :
Tito_Scwrl_4X2A.pdb
: