Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLRIIAGKYRGRRIATGKHLAARPTMSIVREAVFN-ILSSKKIIYNLNILDLFCGSGSFSFEALSRG-AKHAFIVDLDYYNLQLPEKTAK-DLGITDSITLIC-CSANALPKPVSKCDIVFIDPPYYSNLVNSTLDGLANSGWLSDDA-LIILEVRKNEDFQCSKNFSVILERTYGIARIIFLSLST------
2ESR Chain:A ((18-177))
----------------------------VRGAIFNMIGPYFN---GGRVLDLFAGSGGLAIEAVSRGMS-AAVLVEKNRKAQAIIQDNIIMTKA-ENRFTLLKMEAERAIDCLTGRFDLVFLDPPYAKETIVATIEALAAKNLLSEQVMVVCETDKTVLLPKEIATLGIWKEKIYGISKVTVYVNEGHHHHHH
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) -113151 for 1154 contacts (-98.1/contact) +
2D Compatibility (PS) -15970 + (NN) -2634 + (LL) 3112
1D Compatibility (HY) -8400 + (ID) 1950
Total energy: -138993.0 ( -120.44 by residue)
QMean score : 0.539
(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
: