Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDLRQLRYFIALAEHRSFVRAADAMGITQPAFSRSIQGLEQELGCQLVDRGSKDLRPTPEGQVVLQHALSL---VQGSANLIHEIAQLNKLD----AGELRFGSGPAPAQQLVPDAVADFINRHPRVQISLDVDNWEKLSRALLREEIEFFVADIRDFEADPNFQTRPLTPRRGQFFCRPQHPL--LGKDSLSTNDLFNYPLASTLIPPGIRKLLANLSGKIDFAANIRCENMHALIRIVRQTDAIGIASDETLRPYLQRGELQPLQWRNLPQNLDSLSARCGIISRSGYRLSAAAKAMIETLVELDQAQHAAA |
| 3K1N Chain:A ((1-189)) | MELRHLRYFVAVVEEQSFTKAADKLCIAQPPLSRQIQNLEEELGIQLLERGSRPVKTTPEGHFFYQYAIKLLSNVDQMVSMTKRIASVEKTIRIGFVGSLLFG--------LLPRIIHLYRQAHPNLRIELYEMGTKAQTEALKEGRIDAGFGRLKI--SDPAIKRTLLRNERLMVAVHASHPLNQMKDKGVHLNDLIDEKILLYPSSPKPNFSTHVMNIFSDHGLEPTKINEVREVQLALGLVAAGEGISLVPASTQSIQLFNLSYVPLLDPDAITPIYIAVRNMEESTYIYSLYETIRQIYAYEGFTEPPN- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3K1N.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -57959 for 1000 contacts (-58.0/contact) +
2D Compatibility (PS) -19108 + (NN) -5304 + (LL) 376
1D Compatibility (HY) -15200 + (ID) 3250
Total energy: -100445.0 ( -100.45 by residue)
QMean score : 0.495
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