Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDYAPHTAENVVQNANKLIDVFRKNNGFIAFVRVNF-YDGKDVLQ-----PNAMISLPPKEGDDYSRFHHLLDKRDDDFVIDKRHFSAFVGTDLDLQLRRRGIDTIVLGGVATHIGVDTTARDAYQLNYNQFFVTDMMSAQNETLHQFPIDNVFPLMGQTITTNDFLNILN
1J2R Chain:C ((38-199))
----PHTADEVVNRAGKLAAKFRASGQPVFLVRVGWSADYAEALKQPVDAPSPAKVLP----ENWWQHPAALGTTDSDIEIIKRQWGAFYGTDLELQLRRRGIDTIVLCGISTNIGVESTARNAWELGFNLVIAEDACSAASAEQHNNSINHIYPRIARVRSVEEILNAL-
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) -80818 for 1118 contacts (-72.3/contact) +
2D Compatibility (PS) -16513 + (NN) -3308 + (LL) 144
1D Compatibility (HY) -9600 + (ID) 3200
Total energy: -113295.0 ( -101.34 by residue)
QMean score : 0.396
(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
: