Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDEQLKMLKALTDAKGIPGNERAVRNVFREYIEPLADSFETDGLGSAVA-KKVGAEDGPKIMIAGHLDEVGFMVTQIDDKGFIKFQTVGGWVSQVMLAQKVTIVTRSGEEITGVIGSKPPHVMTAADRQKSFDIKDMFIDVGAVDKAEVESYGIRPGDMIVPAFDFTVMKNEKFLLAKAWDNRIGLAIAIEVLKNLQKEQHPNIVYGVGTVQEEVGLRGAKTAAHFVQPDIGFAVDVGIAGDTPGVTDKEAMSKMGEGPQIVIYDASMVAHAGLRDFVTDVADELSIPYQFEAIPMGGTDSGSIHLTGNGIPSLSITIATRYIHSHSSMLHRDDFENAVKLITEVVKRLDKEKVTEIRLG |
| 3KL9 Chain:C ((4-353)) | --TLFSKIKEVTELAAVSGHEAPVRAYLREKLTPHVDEVVTDGLGGIFGIKHSEAVDAPRVLVASHMDEVGFMVSEIKPDGTFRVVEIGGWNPMVVSSQRFKLLTRDGHEIPVISG---------------PAIADIVFDGGFADKAEAESFGIRPGDTIVPDSSAILTANEKNIISKAWDNRYGVLMVSELAEALSGQKLGNELYLGSNVQEEVGLRGAHTSTTKFDPEVFLAVDCSPAGDVYG-----GQGKIGDGTLIRFYDPGHLLLPGMKDFLLTTAEEAGIKYQYYC-GKGGTDAGAAHLKNGGVPSTTIGVCARYIHSHQTLYAMDDFLEAQAFLQALVKKLDRSTVDLIK-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KL9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -170675 for 3014 contacts (-56.6/contact) +
2D Compatibility (PS) -36189 + (NN) -13222 + (LL) 1396
1D Compatibility (HY) -21200 + (ID) 6700
Total energy: -246590.0 ( -81.81 by residue)
QMean score : 0.537
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