Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDEQLKMLKALTDAKGIPGNERAVRNVFREYIEPLADSFETDGLGSAVAKKVGAEDGPKIMIAGHLDEVGFMVTQIDDKGFIKFQTVGGWVSQVMLAQKVTIVTRSGEEITGVIGSKPPHVMTAADRQKSFDIKDMFIDVGAVDKAEVESYGIRPGDMIVPAFDFTVMKNEKFLLAKAWDNRIGLAIAIEVLKNLQKEQHPNIVYGVGTVQEEVGLRGAKTAAHFVQPDIGFAVDVGIAGDTPGVTDKEAMSKMGEGPQIVIYDASMVAHAGLRDFVTDVADELSIPYQFEAIPMGGTDSGSIHLTGNGIPSLSITIATRYIHSHSSMLHRDDFENAVKLITEVVKRLDKEKVTEIRLG |
2WYR Chain:A ((2-332)) | -MSMIEKLKKFTQIPGISGYEERIREEIIREIKDFA-DYKVDAIGNLIVELGE--GEERILFMAHMDEIGLLITGITDEGKLRFRKVGGIDDRLLYGRHVNVVTE-KGILDGVIGATPPHL------KSVIPWYDLVIDIGAESKEEALE-LVKPLDFAVFKKHFSVLN-GKYVSTRGLDDRFGVVALIEAIKDLVDHELEGKVIFAFTVQEEVGLKGAKFLANHYYPQYAFAIDSFACCSPLTG-----DVKLGKGPVIRAVDNSAIYSRDLARKVWSIAEKNGIEIQIGV-TGGGTDASAFQD---RSKTLALSVPIKYLHSEVETLHLNDLEKLVKLIEALAFEL----------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2WYR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -177160 for 2880 contacts (-61.5/contact) +
2D Compatibility (PS) -34994 + (NN) -11766 + (LL) 2040
1D Compatibility (HY) -22400 + (ID) 5050
Total energy: -249330.0 ( -86.57 by residue)
QMean score : 0.516
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