Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPELPEVETTRRGIAPYLEGQRVERVIVRERRLRWPI----PEDLDV---RLSGQRIVSVERRAKYLLLGAEAGTLISHLGMSGSLRLVESGTPASRHEHVDIELASGMALRYTDPRRFGAMLWSLAPLEHEL---LRNLGPEPLTDAFAGQRLFELSRGRSMAVKPFIMDNAVVVGVGNIYASEALFAAGIDPRKPAGSISKARYLRLAEEIKRILAIAIERGGTTLRDFVGGDGQPGYFQQELFVYGRGGEFCKVCGSTLREIRLGQRASVYCPRCQR
3GQ4 Chain:A ((1-273))
-PQLPEVETIRRTLLPLIVGKTIEDV-----RIFWPNIIRHPRDSEAFAARMIGQTVRGLERRGKFLKFLLDRDALISHLRMEGRYAVASALEPLEPHTHVVFCFTDGSELRYRDVRKFGTM-HVYAKEEADRRPPLAELGPEPLSPAFSPAVLAERAVKTKRSVKALLLDCTVVAGFGNIYVDESLFRAGILPGRPAASLSSKEIERLHEEMVATIGEAVMKGGSTVRTYVNTQGEAGTFQHHLYVYGRQGNPCKRCGTPIEKTVVAGRGTHYCPRCQR
General information:
TITO was launched using:
RESULT:
Template:
3GQ4.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -119206 for 2145 contacts (-55.6/contact) +
2D Compatibility (PS) -27937 + (NN) -13326 + (LL) 1084
1D Compatibility (HY) -18000 + (ID) 5600
Total energy: -182985.0 ( -85.31 by residue)
QMean score : 0.469
(partial model without unconserved sides chains):
PDB file :
Tito_3GQ4.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3GQ4-query.scw
PDB file :
Tito_Scwrl_3GQ4.pdb
: