Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLFDTHAHLNAEQYDTDLEEVIERAKAEKVERIVVVGFDRPTITRAMEMIEEYDFIYAAIGWHPVDAIDMTEEDLAWIKELSAHEKVVAIGEMGLDYHWDKSPKDIQKEVFRNQIALAKEVNLPIIIHNRDATEDVVTILKEEGAEAVGGIMHCFTGSAEVARECMKMNFYLSFGGPVTF-KNAKKPKEVVKEIPNDRLLIETDCPF-----LTPHPFRGKRNEPSYVKYVAEQIAELKEMTFEEIASITTENAKRLFRIN
4PE8 Chain:A ((1-258))
-MFDIGVNLTSSQFAKDRDDVVACAFDAGVNGLLITGTNLRESQQAQKLARQYSSCWSTAGVHPHDSSQWQAATEEAIIELAAQPEVVAIGECGLDFNRNFSTPEEQERAFVAQLRIAADLNMPVFMHCRDAHERFMTLLEPWLDKLPGAVLHCFTGTREEMQACVAHGIYIGITGWVCDERRGLELRELLPLIPAEKLLIETDAPYLLPRDLTPKP-SSRRNEPAHLPHILQRIAHWRGEDAAWLAATTDANVKTLFGI-
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) -148999 for 2224 contacts (-67.0/contact) +
2D Compatibility (PS) -27280 + (NN) -14065 + (LL) 260
1D Compatibility (HY) -15200 + (ID) 4000
Total energy: -209284.0 ( -94.10 by residue)
QMean score : 0.612
(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
: