Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPELPEVETTRRGIAPYLEGQRVERVIVRERRLRWPIPEDLDVRLSGQRIVSVERRAKYLLLGAEAGTLISHLGMSGSLRLVESGTPASRHEHVDIELASGMALRYTDPRRFGAMLWSLAPLEHELLRNLGPEPLTDAFAGQRLFELSRGRSMAVKPFIMDNAVVVGVGNIYASEALFAAGIDPRKPAGSISKARYLRLAEEIKRILAIAIERGGTTLRDFVGGDGQPGYFQQELFVYGRGGEFCKVCGSTLREIRLGQRASVYCPRCQR
1K82 Chain:B ((1-268))
-PELPEVETSRRGIEPHLVGATILHAVVRNGRLRWPVSEEI-YRLSDQPVLSVQRRAKYLLLELPEGWIIIHLGMSGSLRILPEELPPEKHDHVDLVMSNGKVLRYTDPRRFGAWLWTKELEGHNVLTHLGPEPLSDDFNGEYLHQKCAKKKTAIKPWLMDNKLVVGVGNIYASESLFAAGIHPDRLASSLSLAECELLARVIKAVLLRSIEQGGTTLK--------PGYFAQELQVYGRKGEPCRVCGTPIVATKHAQRATFYCRQCQK
General information:
TITO was launched using:
RESULT:
Template:
1K82.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -152117 for 2144 contacts (-71.0/contact) +
2D Compatibility (PS) -27479 + (NN) -12038 + (LL) -92
1D Compatibility (HY) -24800 + (ID) 7150
Total energy: -223676.0 ( -104.33 by residue)
QMean score : 0.418
(partial model without unconserved sides chains):
PDB file :
Tito_1K82.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1K82-query.scw
PDB file :
Tito_Scwrl_1K82.pdb
: