Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPTVTWARVDPARRAAVVEAAEAEFGAHGFSRGSLNVIARRAGVAKGSLFQYFADKRDLYAFIADIASQRVRSYMEDLIRELDP--NRPFFEFLTDLLDGWVAYFAEHPRERALHAAATLEVDTDARISVRSVLHRHYLDVLRPLVRDAHARGDLRADSDTGALMSLLLLIFPHLALAPYMRGLDPILGLDEPTPEQPALAVRRLVAVLAAAFDAQHPATNSAQTRSEEIT
3NRG Chain:A ((3-172))
-PTETFFNLPEEKRSRLIDVLLDEFAQNDYDSVSINRITERAGIAKGSFYQYFADKKDCYLYLIQLGIEQKTAFL----RQTPPASTTDMFAYLRWLLDVGIQFQFHNPR-LAQIAYKALYDDVPLPAETMQVIRHGSFAYFKQLVEQGIADGSLVPDLDADTAAFVLNVVFTELG-------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3NRG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -84853 for 1133 contacts (-74.9/contact) +
2D Compatibility (PS) -18263 + (NN) -10103 + (LL) 4688
1D Compatibility (HY) -11600 + (ID) 2400
Total energy: -122531.0 ( -108.15 by residue)
QMean score : 0.577
(partial model without unconserved sides chains):
PDB file :
Tito_3NRG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NRG-query.scw
PDB file :
Tito_Scwrl_3NRG.pdb
: