Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTRIIGGVAGGRRIAVPPRGTRPTTDRVRESLFN-IVTARRDLTGLAVLDLYAGSGALGLEALSRG-AASVLFVESDQRSAAVIARNIE-ALGLSGATLRR-GAVAAVVAAGTTSPVDLVLADPPYNVDSADVDAILAALGTNGWTREGT-VAVVERATTCAPLTWPEGWRRWPQRVYGDTRLELAERLFANV---
2ESR Chain:A ((18-177))
---------------------------VRGAIFNMIG---PYFNGGRVLDLFAGSGGLAIEAVSRGMS-AAVLVEKNRKAQAIIQDNIIMTKAENRFTLLKMEAERAIDC--LTGRFDLVFLDPPY--AKETIVATIEALAAKNLLSEQVMV-VCETDKTVLLPKEIATLGIWKEKIYGISKVTVYVNEGHHHHHH
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) -78428 for 1172 contacts (-66.9/contact) +
2D Compatibility (PS) -16608 + (NN) -6027 + (LL) 1612
1D Compatibility (HY) -10400 + (ID) 2450
Total energy: -112301.0 ( -95.82 by residue)
QMean score : 0.417
(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
: