Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIEKTIMERRSIKKANDEPISRETVNTILEQAAYAPFHSKVEPWNVYVLHTLAEKERYIE---KIIEFNEREQG-VSFSEAEIADLKAGYAKKIITPPYLLIVTTNIIG-------------HGKKDFESIGATSAFIQNIQLLGWEAGIGMIWRSNRFIFDAKFADDLGIPAEQKIVGTLHLTSLAEVPEAKPRRPLNEWVKNLADL
3GFA Chain:A ((3-193))
-ISDSISKRRSIRKYKNQSISHETIEKIIEAGINAPSSKNRQPWR-FVVITEKEKESMLKAMSKGIQNEINDNGLLPGSRQHIAG--ANYTVEIMKQAPVTIFILNILGKSPLEKLSPEERFYEMANMQSIGAA---IQNMSLTAVELGLGSLWICDVYFAYRELCEWLN--TDSQLVAAISLGYPDEEPSRRPRLQLSD--------
General information:
TITO was launched using:
RESULT:
Template:
3GFA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -72290 for 1296 contacts (-55.8/contact) +
2D Compatibility (PS) -18305 + (NN) -4558 + (LL) 1704
1D Compatibility (HY) -10800 + (ID) 2700
Total energy: -106949.0 ( -82.52 by residue)
QMean score : 0.497
(partial model without unconserved sides chains):
PDB file :
Tito_3GFA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GFA-query.scw
PDB file :
Tito_Scwrl_3GFA.pdb
: