Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPELPEVETTRRGIAPYLEGQRVERVIVRERRLRWPI----PEDLDV---RLSGQRIVSVERRAKYLLLGAEAGTLISHLGMSGSLRLVESGTPASRHEHVDIELASGMALRYTDPRRFGAMLWSLAPLEHEL---LRNLGPEPLTDAFAGQRLFELSRGRSMAVKPFIMDNAVVVGVGNIYASEALFAAGIDPRKPAGSISKARYLRLAEEIKRILAIAIERGGTTLRDFVGGDGQPGYFQQELFVYGRGGEFCKVCGSTLREIRLGQRASVYCPRCQR
3JR4 Chain:A ((1-273))
-PQLPEVETIRRTLLPLIVGKTIEDV-----RIFWPNIIRHPRDSEAFAARMIGQTVRGLERRGKFLKFLLDRDALISHLRMEGRYAVASALEPLEPHTHVVFCFTDGSELRYRDVRKFGTM-HVYAKEEADRRPPLAELGPEPLSPAFSPAVLAERAVKTKRSVKALLLDQTVVAGFGCIYVDESLFRAGILPGRPAASLSSKEIERLHEEMVATIGEAVMKGGST----------AGTFQHHLYVYGRQGNPCKRCGTPIEKTVVAGRGTHYCPRCQR
General information:
TITO was launched using:
RESULT:
Template:
3JR4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -119099 for 2013 contacts (-59.2/contact) +
2D Compatibility (PS) -26740 + (NN) -10754 + (LL) 1136
1D Compatibility (HY) -16800 + (ID) 5400
Total energy: -177657.0 ( -88.25 by residue)
QMean score : 0.456
(partial model without unconserved sides chains):
PDB file :
Tito_3JR4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3JR4-query.scw
PDB file :
Tito_Scwrl_3JR4.pdb
: