Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDEQLKMLKALTDAKGIPGNERAVRNVFREYIEPLADSFETDGLGSAVA-KKVGAEDGPKIMIAGHLDEVGFMVTQIDDKGFIKFQTVGGWVSQVMLAQKVTIVTRSGEEITGVIGSKPPHVMTAADRQKSFDIKDMFIDVGAVDKAEVESYGIRPGDMIVPAFDFTVMKNEKFLLAKAWDNRIGLAIAIEVLKNLQKEQHPNIVYGVGTVQEEVGLRGAKTAAHFVQPDIGFAVDVGIAGDTPGVTDKEAMSKMGEGPQIVIYDASMVAHAGLRDFVTDVADELSIPYQFEAIPMGGTDSGSIHLTGNGIPSLSITIATRYIHSHSSMLHRDDFENAVKLITEVVKRLDKEKVTEIRLG |
3KL9 Chain:G ((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) -159173 for 2998 contacts (-53.1/contact) +
2D Compatibility (PS) -36379 + (NN) -13572 + (LL) 1396
1D Compatibility (HY) -21200 + (ID) 6700
Total energy: -235628.0 ( -78.60 by residue)
QMean score : 0.520
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