Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVSALLKFDFSVVRHNMAIKLNNNFLIIMGTSFLLLLAYHIKKEGKEVLSSLFVISNFFDNSTLFFVIIVVMRVVAGTFGGRPLKTLDGKTTRPTTDKVKGAIFNMIGPFFEGGRVLDLFSGSGSLAIEAISRGMDQAVLVEKDRRAQVVIQENIAMTKSPEQFQLLKMEANRALEQLTGQFDLVLLDPPYAKEEIVKQIQIMDSKGLLGDDIMIVCETDKSVDLPEEIASFGIWKQKIYGISKVTVYVR
2ESR Chain:A ((18-168))
--------------------------------------------------------------------------------------------------VRGAIFNMIGPYFNGGRVLDLFAGSGGLAIEAVSRGMSAAVLVEKNRKAQAIIQDNIIMTKAENRFTLLKMEAERAIDCLTGRFDLVFLDPPYAKETIVATIEALAAKNLLSEQVMVVCETDKTVLLPKEIATLGIWKEKIYGISKVTVYVN
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) -103687 for 1204 contacts (-86.1/contact) +
2D Compatibility (PS) -16818 + (NN) -8209 + (LL) 7788
1D Compatibility (HY) -22400 + (ID) 5300
Total energy: -148626.0 ( -123.44 by residue)
QMean score : 0.693
(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
: