Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKPNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENKIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKFPLESWTKQPKSELQKFVGDTVLEDDIKEGDFTYNYTLWTRK
1IA1 Chain:A ((1-192))
MLKPNVAIIVAALKPALGIGYKGKMPWRLRKEIRYFKDVTTRTTKPNTRNAVIMGRKTWESIPQKFRPLPDRLNIILSRSYENEIIDDNIIHASSIESSLNLVSDVERVFIIGGAEIYNELINNSLVSHLLITEIEHPSPESIEMDTFLKFPLESWTKQPKSELQKFVGDTVLEDDIKEGDFTYNYTLWTRK
General information:
TITO was launched using:
RESULT:
Template:
1IA1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -152605 for 1439 contacts (-106.0/contact) +
2D Compatibility (PS) -20714 + (NN) -5740 + (LL) 0
1D Compatibility (HY) -27600 + (ID) 9500
Total energy: -216159.0 ( -150.21 by residue)
QMean score : 0.769
(partial model without unconserved sides chains):
PDB file :
Tito_1IA1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1IA1-query.scw
PDB file :
Tito_Scwrl_1IA1.pdb
: