Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRPLARLRGRRVVPQRSAGELDAMAAAGAVVAAALRAIRAAAAPGTSSLSLDEIAESVIRESGATPSFLGYHGYPASICASINDRVVHGIPSTAEVLAPGDLVSIDCGAVLDGWHGDAAITFGVGALSDADEALSEATRESLQAGIAAMVVGNRLTDVAHAIETGTRAAELRYGRSFGIVAGYGGHGIGRQMHMDPFLPNEGAPGRGPLLAAGSVLAIEPMLTLGTTKTVVLDDKWTVTTADGSRAAHWEHTVAVTDDGPRILTLG
3PKE Chain:A ((47-283))
--------------------IEKMRVAGRIAAGALAEAGKAVAPGVTTDELDRIAHEYLVDNGAYPSTLGYKGFPKSCCTSLNEVICHGIPDST-VITDGDIVNIDVTAYIGGVHGDTNATFPAGDVADEHRLLVDRTREATMRAINTVKPGRALSVIGRVIESYAN----RFG--YNVVRDFTGHGIGTTFHNGLVVLHYDQPAVETIMQPGMTFTIEPMINLGALDYEIWDDGWTVVTKDRKWTAQFEHTLLVTDTGVEILT--
General information:
TITO was launched using:
RESULT:
Template:
3PKE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -145245 for 2104 contacts (-69.0/contact) +
2D Compatibility (PS) -26425 + (NN) -13137 + (LL) 2152
1D Compatibility (HY) -18800 + (ID) 4500
Total energy: -205955.0 ( -97.89 by residue)
QMean score : 0.467
(partial model without unconserved sides chains):
PDB file :
Tito_3PKE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PKE-query.scw
PDB file :
Tito_Scwrl_3PKE.pdb
: