Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKSKEHDFHLVDSSPWPIAMSAAIFILVLGLVGTLHKQVSGIFGLVLGTSAVSGVLFYWWKDVVKEAIYDKCHTAIVKHGLKFAMYLFILSEVVFFIVFFCSFFKAWLDPVFLFETFSPTKKVKWPPEGILLPDPWSLPFMNTLILLLSGTTITWAHHSLFKDDKKSMIKMLYITILLGVFFVIVQAIEYHETSFSLQEAGIYASNFYMITGFHCAHVIIGIIFLSVCLFRARKDQFTPQDHLCFEFASWYWHFVDIVWIFLFVFVYWLSVF
2YBB Chain:N ((1-258))
MTHQTHAYHMVNPSPWPLTGALSALLMTSGLTMWFHFNSMTLLMIGLTTNMLT--MYQWWRDVIRESTFQGHHTPAVQKGLRYGMILFIISEVLFFTGFFWAFYHSSLAP-------TPELGGCWPPTGIHPLNPLEVPLLNTSVLLASGVSITWAHHSLMEGDRKHMLQALFITITLGVYFTLLQASEYYEAPFTISD-GVYGSTFFVATGFHGLHVIIGSTFLIVCFFRQLKFHFTSNHHFGFEAAAWYWHFVDVVWLFLYVSIYWWGS-
General information:
TITO was launched using:
RESULT:
Template:
2YBB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -219788 for 1807 contacts (-121.6/contact) +
2D Compatibility (PS) -26735 + (NN) -15021 + (LL) 1260
1D Compatibility (HY) -29600 + (ID) 5750
Total energy: -295634.0 ( -163.60 by residue)
QMean score : 0.318
(partial model without unconserved sides chains):
PDB file :
Tito_2YBB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2YBB-query.scw
PDB file :
Tito_Scwrl_2YBB.pdb
: