Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDYAPHTAENVVQNANKLIDVFRKNNGFIAFVRVNFYDGKDVLQPNA--MISLPPKE-GDDYSRFHHLLDKRDDDFVIDKRHFSAFVGTDLDLQLRRRGIDTIVLGGVATHIGVDTTARDAYQLNYNQFFVTDMMSAQNETLHQFPIDNVFPLMGQTITTNDFLNILN
1J2R Chain:A ((39-199))
-----HTADEVVNRAGKLAAKFRASGQPVFLVRV-GWSADYAEALKQPVDAPSPAKVLPENWWQHPAALGTTDSDIEIIKRQWGAFYGTDLELQLRRRGIDTIVLCGISTNIGVESTARNAWELGFNLVIAEDACSAASAEQHNNSINHIYPRIARVRSVEEILNAL-
General information:
TITO was launched using:
RESULT:
Template:
1J2R.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -80284 for 1112 contacts (-72.2/contact) +
2D Compatibility (PS) -16726 + (NN) -3215 + (LL) 68
1D Compatibility (HY) -8000 + (ID) 3000
Total energy: -111157.0 ( -99.96 by residue)
QMean score : 0.416
(partial model without unconserved sides chains):
PDB file :
Tito_1J2R.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1J2R-query.scw
PDB file :
Tito_Scwrl_1J2R.pdb
: