Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MYDPLGLSIGTTNLVAAGNGGPPVTRRAVLTLYPHCAPKIGVPSQNPNLIEPGALMSGFVERIGDAVALVSPDGSVHDPDLLLVEALDAMVLTAGADASSSEIA-------IAVPAHWKPGAVHALRNGLRTHVGFVRSGMAPRLVSDAIAALTAVNSELGLPHGSVVGLLDFGGSATYVTLVETKSDSRTSDFQPVSATARYQDFSGSQIDQALLLRVIDQFGYGDDVDPASTAAVGQLGQLREQCRAAKERLS--TDVATELFAELAGCSSSIEMTREQLEDLIQDPLTGFIYAFDDMLARHNASWADLAAVVTVGGGANIPLVTQRLS-FHTRRPVLTASQPGCAAAMGALLLANRGGERDSRTRTSIGLATAAAAGTSVIELPAGDVMVIDHEALTDRELAWSQTDFPSEAPARFEGDSYNEGGPCWSMRLNAVEPPKGPAWRRIRVSQLLIGVSAVVAMTAIGGVALTLTAIERRPSPLPTPIVPGLAPMPPGSVVPSSRAPTPPPPPSTVAPLPSAAPAPTTVAPAPPPPTQVVTTTTAPPVTTTPRPSPTTTTTTAPPSTTTTTEPPVTTTSTIPTIPTTTTTVKMTTEWLHVPFLPVPIPVPIPQNPGAGEPQNPFGSLGSG |
3AY9 Chain:A ((121-381)) | ------------------------------------------------------------------------------------EEISSMVLTKMKEIAEAYLGYPVTNAVITVPAYFNDSQRQATKDA-----GVIAGLNVLRIINEPTAAAIAYGLDRTGKGERNVLIFDLGGGTFDVSIL-TIDDG----IFEVKATAGDTHLGGEDFDNRLVNHFVEEFKRKHKKDISQNKRA--VRRLRTACERAKRTLSSSTQASLEIDSLFEGIDFYTSITRARFEELCSDLFRSTLEPVEKALRDAKLDKAQIHDLVLVGGSTRIPKVQKLLQDFFNGRDLNKSINPDEAVAYGAAVQA--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AY9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -134075 for 1961 contacts (-68.4/contact) +
2D Compatibility (PS) -27612 + (NN) -13103 + (LL) 13632
1D Compatibility (HY) -11600 + (ID) 3200
Total energy: -175958.0 ( -89.73 by residue)
QMean score : 0.339
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