Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKSKEHDFHLVDSSPWPIAMSAAIFILVLGLVGTLHKQVSGIFGLVLGTSAVSGVLFYWWKDVVKEAIYDKCHTAIVKHGLKFAMYLFILSEVVFFIVFFCSFFKAWLDPVFLFETFSPTKKVKWPPEGILLPDPWSLPFMNTLILLLSGTTITWAHHSLFKDDKKSMIKMLYITILLGVFFVIVQAIEYHETSFSLQEAGIYASNFYMITGFHCAHVIIGIIFLSVCLFRARKDQFTPQDHLCFEFASWYWHFVDIVWIFLFVFVYWLSVF
3AG2 Chain:C ((3-258))
--HQTHAYHMVNPSPWPLTGALSALLMTSGLTMWFHFNSMTLLMIGLTTNMLT--MYQWWRDVIRESTFQGHHTPAVQKGLRYGMILFIISEVLFFTGFFWAFYHSSLAP-------TPELGGCWPPTGIHPLNPLEVPLLNTSVLLASGVSITWAHHSLMEGDRKHMLQALFITITLGVYFTLLQASEYYEAPFTISD-GVYGSTFFVATGFHGLHVIIGSTFLIVCFFRQLKFHFTSNHHFGFEAAAWYWHFVDVVWLFLYVSIYWWGS-
General information:
TITO was launched using:
RESULT:
Template:
3AG2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -224389 for 1818 contacts (-123.4/contact) +
2D Compatibility (PS) -26604 + (NN) -15828 + (LL) 1532
1D Compatibility (HY) -29200 + (ID) 5750
Total energy: -300239.0 ( -165.15 by residue)
QMean score : 0.326
(partial model without unconserved sides chains):
PDB file :
Tito_3AG2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AG2-query.scw
PDB file :
Tito_Scwrl_3AG2.pdb
: