Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRPLARLRGRRVVPQRSAGELDAMAAAGAVVAAALRAIRAAAAPGTSSLSLDEIAESVIRESGATPSFLGYHGYPASICASINDRVVHGIPSTAEVLAPGDLVSIDCGAVLDGWHGDAAITFGVGALSDADEALSEATRESLQAGIAAMVVGNRLTDVAHAIETGTRAAELRYGRSFGIVAGYGGHGIGRQMHMDPFLPNEGAPGRGPLLAAGSVLAIEPMLTLGTTKTVVLDDKWTVTTADGSRAAHWEHTVAVTDDGPRILTLG
3PKC Chain:A ((47-283))
--------------------IEKMRVAGRIAAGALAEAGKAVAPGVTTDELDRIAHEYLVDNGAYPSTLGYKGFPKSCCTSLNEVICHGIPDST-VITDGDIVNIDVTAYIGGVHGDTNATFPAGDVADEHRLLVDRTREATMRAINTVKPGRALSVIGRVIESYAN----RFG--YNVVRDFTGHGIGTTFHNGLVVLHYDQPAVETIMQPGMTFTIEPMINLGALDYEIWDDGWTVVTKDRKWTAQFEHTLLVTDTGVEILT--
General information:
TITO was launched using:
RESULT:
Template:
3PKC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -148844 for 2092 contacts (-71.1/contact) +
2D Compatibility (PS) -26290 + (NN) -12297 + (LL) 2152
1D Compatibility (HY) -18800 + (ID) 4500
Total energy: -208579.0 ( -99.70 by residue)
QMean score : 0.461
(partial model without unconserved sides chains):
PDB file :
Tito_3PKC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PKC-query.scw
PDB file :
Tito_Scwrl_3PKC.pdb
: