Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPELPEVETTRRGIAPYLEGQRVERVIVRERRLRWPI----PEDLDV---RLSGQRIVSVERRAKYLLLGAEAGTLISHLGMSGSLRLVESGTPASRHEHVDIELASGMALRYTDPRRFGAMLWSLAPLEHEL---LRNLGPEPLTDAFAGQRLFELSRGRSMAVKPFIMDNAVVVGVGNIYASEALFAAGIDPRKPAGSISKARYLRLAEEIKRILAIAIERGGTTLRDFVGGDGQPGYFQQELFVYGRGGEFCKVCGSTLREIRLGQRASVYCPRCQR
1R2Y Chain:A ((2-274))
-PQLPEVETIRRTLLPLIVGKTIEDV-----RIFWPNIIRHPRDSEAFAARMIGQTVRGLERRGKFLKFLLDRDALISHLRMEGRYAVASALEPLEPHTHVVFCFTDGSELRYRDVRKFGTM-HVYAKEEADRRPPLAELGPEPLSPAFSPAVLAERAVKTKRSVKALLLDQTVVAGFGNIYVDESLFRAGILPGRPAASLSSKEIERLHEEMVATIGEAVMKGGSTVRTYVNTQGEAGTFQHHLYVYGRQGNPCKRCGTPIEKTVVAGRGTHYCPRCQR
General information:
TITO was launched using:
RESULT:
Template:
1R2Y.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -119954 for 2156 contacts (-55.6/contact) +
2D Compatibility (PS) -27912 + (NN) -13448 + (LL) 1084
1D Compatibility (HY) -18000 + (ID) 5600
Total energy: -183830.0 ( -85.26 by residue)
QMean score : 0.484
(partial model without unconserved sides chains):
PDB file :
Tito_1R2Y.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1R2Y-query.scw
PDB file :
Tito_Scwrl_1R2Y.pdb
: