Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIVDSHCHLIYFSDDEIPEVISRAEQNGVKILHNICVNADDVPKLLKIASSYNQVYSSIGIHPLDASVENGKCMHADELVELIKNQKVVSIGETGLDFYKS-NNKSNQKKSFASHIEAARITGLPLVIHTRGVDSEVIDMLKSEMKNGPFNGVMHCFTSSKELAHQSIDLGLYISFSGIITFKNASL-LRRIAQDVPRERVLVETDAPY-----LSPEPHRGKKNEPAMVKYVVDCLAELWSASPDKVAEVTTNNFFRLFTKLKLKEIL
4PE8 Chain:A ((19-256))
------------------DVVACAFDAGVNGLLITGTNLRESQQAQKLARQYSSCWSTAGVHPHDSSQWQAATEEA--IIELAAQPEVVAIGECGLDFNRNFSTPEEQERAFVAQLRIAADLNMPVFMHCRDAHERFMTLLEPWLDKLP-GAVLHCFTGTREEMQACVAHGIYIGITGWVCDERRGLELRELLPLIPAEKLLIETDAPYLLPRDLTPKP-SSRRNEPAHLPHILQRIAHWRGEDAAWLAATTDANVKTLFGIAF-----
General information:
TITO was launched using:
RESULT:
Template:
4PE8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -123561 for 1907 contacts (-64.8/contact) +
2D Compatibility (PS) -24873 + (NN) -13025 + (LL) 1972
1D Compatibility (HY) -12800 + (ID) 3500
Total energy: -175787.0 ( -92.18 by residue)
QMean score : 0.582
(partial model without unconserved sides chains):
PDB file :
Tito_4PE8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4PE8-query.scw
PDB file :
Tito_Scwrl_4PE8.pdb
: