Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGFLKGKKGLIVGVANNKSIAYGIAQSCFNQGATLAFTYLNESLEKRVRPIAQELNSPYVYELDVSKEEHFKSLYNNIKQDLGSLDFIVHSVAFAPKEALEGSLLETSKSAFNTAMEISVYSLIELTNTLKPLLNNGASVLTLSYLGSTKYMAHYNVMGLAKAALESAVRYLAVDLGKHNIRVNALSAGPIRTLASSGIADFRMILKWNEINAPLRKNVSLEEVGNAGMYLLSSLSNGVSGEVHFVDAGYHVMGMGAVEEKDNKATLLWDLHKEQ
3GRK Chain:A ((6-259))
-GLLQGKRGLILGVANNRSIAWGIAKAAREAGAELAFTYQGDALKKRVEPLAEELGAFVAGHCDVADAASIDAVFETLEKKWGKLDFLVHAIGFSDKDELTGRYIDTSEANFTNTMLISVYSLTAVSRRAEKLMADGGSILTLTYYGAEKVMPNYNVMGVAKAALEASVKYLAVDLGPQNIRVNAISAGPIKT------GDFRYILKWNEYNAPLRRTVTIDEVGDVGLYFLSDLSRSVTGEVHHADSGYHVIGM--------------------
General information:
TITO was launched using:
RESULT:
Template:
3GRK.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -184662 for 2139 contacts (-86.3/contact) +
2D Compatibility (PS) -27157 + (NN) -6746 + (LL) 1984
1D Compatibility (HY) -30000 + (ID) 6600
Total energy: -253181.0 ( -118.36 by residue)
QMean score : 0.533
(partial model without unconserved sides chains):
PDB file :
Tito_3GRK.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GRK-query.scw
PDB file :
Tito_Scwrl_3GRK.pdb
: