Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGFLTGKRALIVGVASKLSIASGIAAAMHREGAELAFTYQNDKLRGRVEEFASGWGSRPELCFPCDVADDSQIEAVFAALGKHWDGLDIIVHSVGFAPGDQLDGDFTAVTTREGFRIAHDISAYSFIALAKAGREMMKGRNGSLLTLSYLGAERTMPNYNVMGMAKASLEAGVRYLAGSLGAEGTRVNAVSAGPIRTLAASGIKSFRKMLAANERQTPLRRNVTIEEVGNAGAFLCSDLASGISGEILYVDGGFNTTAMGPLDDD
3PJE Chain:B ((2-256))
-GFLSGKRILVTGVASKLSIAYGIAQAMHREGAELAFTYQNDKLKGRVEEFAAQLGS--DIVLQCDVAEDASIDTMFAELGKVWPKFDGFVHSISFAPGDQLDGDYVNAVTREGFKIAHDISSYSFVAMAKACRSMLN-PGSALLTLSYLGAERAIPNYNVMGLAKASLEANVRYMANAMGPEGVRVNAISAGPIRTLAASGIKDFRKMLAHCEAVTPIRRTVTIEDVGNSAAFLCSDLSAGISGEVVHVDGGFSIAAMNE----
General information:
TITO was launched using:
RESULT:
Template:
3PJE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -173550 for 2180 contacts (-79.6/contact) +
2D Compatibility (PS) -27827 + (NN) -11333 + (LL) -216
1D Compatibility (HY) -30000 + (ID) 8950
Total energy: -251876.0 ( -115.54 by residue)
QMean score : 0.561
(partial model without unconserved sides chains):
PDB file :
Tito_3PJE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PJE-query.scw
PDB file :
Tito_Scwrl_3PJE.pdb
: