Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MHTQVHTARLVHTADLDSETRQDIRQMVTGAFAGDFTETDWEHTLG-GMHALIWH-HGAIIAHAAVIQRRLIYRGNALRCGYVEGVAVRADWRGQRLVSALLDAVEQVMR----GAYQLGALSSSARARRLYASRGWLPWHGPTSVLAPTGPVRTPDDDGTVFVLPIDISLDTSAELMCDWRAGDVW
2CNT Chain:A ((2-149))
-----NTISILSTTDL-----PAAWQIEQRAHAFPWSEKTFFGNQGERYLNLKLTADDRMAAFAITQVVL--------DEATLFNIAVDPDFQRRGLGRMLLEHLIDELETRGVVTLWLEVRASNAAAIALYESLGFNEATIRRNYYPTAQGH--EDA--IIMALPISMK-----------------
General information:
TITO was launched using:
RESULT:
Template:
2CNT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -101654 for 1021 contacts (-99.6/contact) +
2D Compatibility (PS) -15328 + (NN) -4563 + (LL) 2548
1D Compatibility (HY) -5600 + (ID) 1500
Total energy: -126097.0 ( -123.50 by residue)
QMean score : 0.382
(partial model without unconserved sides chains):
PDB file :
Tito_2CNT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2CNT-query.scw
PDB file :
Tito_Scwrl_2CNT.pdb
: