Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVIAGERKGHALKAVPGNNTRPTTDKVKESLFSIIGPFFDGDMVLDLFAGSGGLGIEALSRGAERAVFIDQAALAIKTIRQNLEGCHFTERAEVYRNDAERALKLLHKNEWKFDLIFLDPPYKKQQLEKLIGTLEKLELVNENGRIICEHDKEAIMPDTIGKFEKIKSVSYGITVLSIFEFQEA
2ESR Chain:A ((18-169))
---------------------------VRGAIFNMIGPYFNGGRVLDLFAGSGGLAIEAVSRGMSAAVLVEKNRKAQAIIQDNIIMTKAENRFTLLKMEAERAIDCL---TGRFDLVFLDPPYAKETIVATIEALAAKNLLSEQVMVVCETDKTVLLPKEIATLGIWKEKIYGISKVTVYVN---
General information:
TITO was launched using:
RESULT:
Template:
2ESR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -112638 for 1218 contacts (-92.5/contact) +
2D Compatibility (PS) -16438 + (NN) -5988 + (LL) 1564
1D Compatibility (HY) -14800 + (ID) 2950
Total energy: -151250.0 ( -124.18 by residue)
QMean score : 0.709
(partial model without unconserved sides chains):
PDB file :
Tito_2ESR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2ESR-query.scw
PDB file :
Tito_Scwrl_2ESR.pdb
: