Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDEQLKMLKALTDAKGIPGNERAVRNVFREYIEPLADSFETDGLGSAVA-KKVGAEDGPKIMIAGHLDEVGFMVTQIDDKGFIKFQTVGGWVSQVMLAQKVTIVTRSGEEITGVIGSKPPHVMTAADRQKSFDIKDMFIDVGAVDKAEVESYGIRPGDMIVPAFDFTVMKNEKFLLAKAWDNRIGLAIAIEVLKNLQKEQHPNIVYGVGTVQEEVGLRGAKTAAHFVQPDIGFAVDVGIAGDTPGVTDKEAMSKMGEGPQIVIYDASMVAHAGLRDFVTDVADELSIPYQFEAIPMGGTDSGSIHLTGNGIPSLSITIATRYIHSHSSMLHRDDFENAVKLITEVVKRLDKEKVTEIRLG |
3KL9 Chain:E ((2-353)) | MTTLFSKIKEVTELAAVSGHEAPVRAYLREKLTPHVDEVVTDGLGGIFGIKHSEAVDAPRVLVASHMDEVGFMVSEIKPDGTFRVVEIGGWNPMVVSSQRFKLLTRDGHEIPVISG---------------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) -166320 for 3027 contacts (-54.9/contact) +
2D Compatibility (PS) -36502 + (NN) -14686 + (LL) 1264
1D Compatibility (HY) -21600 + (ID) 6750
Total energy: -244594.0 ( -80.80 by residue)
QMean score : 0.536
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