Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLRIIAGKYRGRRIATGKHLAARPTMSIVREAVFNILSSKKIIYNLNILDLFCGSGSFSFEALSRGAKHAFIVDLDYYNLQLPEKTAKDLGITDSITLICCSAN-ALPKPVSKCDIVFIDPPYYSNLVNSTLDGLANSGWLSDDALIILEVRKNEDFQCS-KNFSVILERTYGIARIIFLSLST
2ESR Chain:A ((18-164))
----------------------------VRGAIFNMIGP--YFNGGRVLDLFAGSGGLAIEAVSRGMSAAVLVEKNRKAQAIIQDNIIMTKAENRFTLLKMEAERAIDCLTGRFDLVFLDPPYAKETIVATIEALAAKNLLSEQVMVVCETDKTVLLPKEIATLGIWKEKIYGISKVTVYVNEG
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) -119609 for 1104 contacts (-108.3/contact) +
2D Compatibility (PS) -15475 + (NN) -1094 + (LL) 2472
1D Compatibility (HY) -11600 + (ID) 2050
Total energy: -147356.0 ( -133.47 by residue)
QMean score : 0.596
(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
: