Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGNYVALLRAVNVAGKNKVNMKNLKGALEEEG-FQNVVTYIQSGNL--VLSSILQTETEVAAKIT-KVIKAICELTIDVFVFSEQNYKQIIANNPFPPETIGEEERWMAAFYNENIDIPRQKNDQAEVIAIGRVLYVHVFSNQIHTLKLPVFLGQYKMALTTTRNWRTTLQLKTLLDSQE
4NEU Chain:A ((87-181))
-----------------------LLGVIIEEGKYSLVMEYMEKGNLMHVLKAEMSTPLSVKGRIILEIIEGMCYLHGKGVIHKDLKPENILVDNDF------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4NEU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -18807 for 323 contacts (-58.2/contact) +
2D Compatibility (PS) -7395 + (NN) -3836 + (LL) 8444
1D Compatibility (HY) -7200 + (ID) 1050
Total energy: -29844.0 ( -92.40 by residue)
QMean score : 0.257
(partial model without unconserved sides chains):
PDB file :
Tito_4NEU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NEU-query.scw
PDB file :
Tito_Scwrl_4NEU.pdb
: