Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVSALLKFDFSVVRHNMAIKLNNNFLIIMGTSFLLLLAYHIKKEGKEVLSSLFVISNFFDNSTLFFVIIVVMRVVAGTFGGRPLKTLDGKTTRPTTDKVKGAIFN-MIGPFFEGGRVLDLFSGSGSLAIEAISRG-MDQAVLVEKDRRAQVVIQENIAMT-KSPEQFQLLKM-EANRALEQLTGQFDLVLLDPPYAKEEIVKQIQIMDSKGLLGDDIMIVCETDKSVDLPEEIASFGIWKQKIYGISKVTVYVR--------
2ESR Chain:A ((18-177))
--------------------------------------------------------------------------------------------------VRGAIFNMIG-PYFNGGRVLDLFAGSGGLAIEAVSRGMS-AAVLVEKNRKAQAIIQDNI--IMTKAENRFTLLKMEAERAIDCLTGRFDLVFLDPPYAKETIVATIEALAAKNLLSEQVMVVCETDKTVLLPKEIATLGIWKEKIYGISKVTVYVNEGHHHHHH
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) -95013 for 1161 contacts (-81.8/contact) +
2D Compatibility (PS) -16297 + (NN) -7268 + (LL) 7892
1D Compatibility (HY) -18000 + (ID) 4800
Total energy: -133486.0 ( -114.98 by residue)
QMean score : 0.665
(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
: