Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPDTTNPIGFTDANELREKNRATVEKYMNTKGQDRLRRHELFVEDGCGGLWTTDTGSPIVIRGKDKLAEHAVWSLKCFPDWEWYNINIFGTDDPNHFWVECDGHGKILFPGYPEGYYENHFLHSFELEDGKIKRNREFMNVFQQLRALSIPVPQIKREGIPT
3JUQ Chain:A ((40-184))
----------------RQHNRKIVEQYMHTRGEARLKRHLLFTEDGVGGLWTTDSGQPIAIRGREKLGEHAVWSLQCFPDWVWTDIQIFETQDPNWFWVECRGEGAIVFPGYPRGQYRNHFLHSFRFENGLIKEQREFMNPCEQFRSLGIEVPEVRRDGLP-
General information:
TITO was launched using:
RESULT:
Template:
3JUQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -25584 for 973 contacts (-26.3/contact) +
2D Compatibility (PS) -15678 + (NN) -7119 + (LL) 412
1D Compatibility (HY) -16000 + (ID) 4650
Total energy: -68619.0 ( -70.52 by residue)
QMean score : 0.622
(partial model without unconserved sides chains):
PDB file :
Tito_3JUQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3JUQ-query.scw
PDB file :
Tito_Scwrl_3JUQ.pdb
: