Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPELPEVETTRRGIAPYLEGQRVERVIVRERRLRWPIPEDLDVRLSGQRIVSVERRAKYLLLGAEAGTLISHLGMSGSLRLVESGTPASRHEHVDIELASGMALRYTDPRRFGAMLWSLAPLEHELLRNLGPEPLTDAFAGQRLFELSRGRSMAVKPFIMDNAVVVGVGNIYASEALFAAGIDPRKPAGSISKARYLRLAEEIKRILAIAIERGGTTLRDFVGGDGQPGYFQQELFVYGRGGEFCKVCGSTLREIRLGQRASVYCPRCQR
1K82 Chain:C ((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) -144900 for 2148 contacts (-67.5/contact) +
2D Compatibility (PS) -27508 + (NN) -11959 + (LL) -92
1D Compatibility (HY) -24800 + (ID) 7150
Total energy: -216409.0 ( -100.75 by residue)
QMean score : 0.435
(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
: