Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVSALLKFDFSVVRHNMAIKLNNNFLIIMGTSFLLLLAYHIKKEGKEVLSSLFVISNFFDNSTLFFVIIVVMRVVAGTFGGRPLKTLDGKTTRPTTDKVKGAIFNMIGPFFEGGRVLDLFSGSGSLAIEAISRGMDQAVLVEKDRRAQVVIQENIAMTKSPEQFQLLKMEANRALEQLTGQFDLVLLDPPYAKEEIVKQIQIMD-S--KGLLGDDIMIVCETDKSVDLPEEIASFGIWKQKIYGISKVTVYVR
2ESR Chain:A ((18-167))
--------------------------------------------------------------------------------------------------VRGAIFNMIGPYFNGGRVLDLFAGSGGLAIEAVSRGMSAAVLVEKNRKAQAIIQDNIIMTKAENRFTLLKMEAERAIDCLTGRFDLVFLDPPYAKETI---VATIEALAAKNLLSEQVMVVCETDKTVLLPKEIATLGIWKEKIYGISKVTVYVN
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) -95629 for 1155 contacts (-82.8/contact) +
2D Compatibility (PS) -16313 + (NN) -6708 + (LL) 8164
1D Compatibility (HY) -21600 + (ID) 5150
Total energy: -137236.0 ( -118.82 by residue)
QMean score : 0.683
(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
: