Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAERANDIRPGQVLEHNGGLFLVVSIMHTQPGK-GGAYIQAEMKNIKTGAKLYERFRSDATIRRAILDEEEYIYLFTEGN-IVNLMHPSNYEQITI--NLDL-LEEK-KIYLQDNMRIKVVTYQ--DKIIFAHVPDYVRLTVKETESFIKGQTITSSYKPAVLENGMRINVPQFIKEEDKIVVYTPDDSYYERVKE
3HKS Chain:A ((27-157))
YPQSAGNIRKGGHIVIKNRPCKVVEVSTSKTGKHGHAKCHFVAIDIFTAKKLEDIVPSSHNCDVPHVNRVDYQLIDITEDGFVSLLTDSGGTKDDLKLPTDDGLTAQMRLGFDEGKDIVVSVMSSMGEEQICAVKEVGGGK-------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3HKS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -50872 for 753 contacts (-67.6/contact) +
2D Compatibility (PS) -13401 + (NN) -6073 + (LL) 4036
1D Compatibility (HY) -3600 + (ID) 1150
Total energy: -71060.0 ( -94.37 by residue)
QMean score : 0.325
(partial model without unconserved sides chains):
PDB file :
Tito_3HKS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HKS-query.scw
PDB file :
Tito_Scwrl_3HKS.pdb
: