Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRVIAGERKGHALKAVPGNNTRPTTDKVKESLFS-IIGPFFDGDMVLDLFAGSGGLGIEALSRG-AERAVFIDQAALAIKTIRQNLEGC-HFTERAEVYRN-DAERALKLLHKNEWKFDLIFLDPPYKKQQLEKLIGTLEKLELVNENGRIICEHDKEAIMPDTIGKFEKIKSVSYGITVLSIFEFQEA-----
2ESR Chain:A ((18-177))
---------------------------VRGAIFNMIG-PYFNGGRVLDLFAGSGGLAIEAVSRGMS-AAVLVEKNRKAQAIIQDNII--MTKAENRFTLLKMEAERAIDCLTG---RFDLVFLDPPYAKETIVATIEALAAKNLLSEQVMVVCETDKTVLLPKEIATLGIWKEKIYGISKVTVYVNEGHHHHHH
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) -96692 for 1185 contacts (-81.6/contact) +
2D Compatibility (PS) -16321 + (NN) -5155 + (LL) 1164
1D Compatibility (HY) -14000 + (ID) 2900
Total energy: -133904.0 ( -113.00 by residue)
QMean score : 0.699
(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
: