Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRPLARLRGRRVVPQRSAGELDAMAAAGAVVAAALRAIRAAAAPGTSSLSLDEIAESVIRESGATPSFLGYHGYPASICASINDRVVHGIPSTAEVLAPGDLVSIDCGAVLDGWHGDAAITFGVGALSDADEALSEATRESLQAGIAAMVVGNRLTDVAHAIETGTRAAELRYGRSFGIVAGYGGHGIGRQMHMDPFLPNEGAPGRGPLLAAGSVLAIEPMLTLGTTKTVVLDDKWTVTTADGSRAAHWEHTVAVTDDGPRILTLG
3PKB Chain:A ((47-283))
--------------------IEKMRVAGRIAAGALAEAGKAVAPGVTTDELDRIAHEYLVDNGAYPSTLGYKGFPKSCCTSLNEVICHGIPDST-VITDGDIVNIDVTAYIGGVHGDTNATFPAGDVADEHRLLVDRTREATMRAINTVKPGRALSVIGRVIESYAN----RFG--YNVVRDFTGHGIGTTFHNGLVVLHYDQPAVETIMQPGMTFTIEPMINLGALDYEIWDDGWTVVTKDRKWTAQFEHTLLVTDTGVEILT--
General information:
TITO was launched using:
RESULT:
Template:
3PKB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -144762 for 2101 contacts (-68.9/contact) +
2D Compatibility (PS) -26327 + (NN) -11696 + (LL) 2152
1D Compatibility (HY) -18800 + (ID) 4500
Total energy: -203933.0 ( -97.06 by residue)
QMean score : 0.455
(partial model without unconserved sides chains):
PDB file :
Tito_3PKB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PKB-query.scw
PDB file :
Tito_Scwrl_3PKB.pdb
: