Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDLRQLRYFIALAEHRSFVRAADAMGITQPAFSRSIQGLEQELGCQLVDRGSKDLRPTPEGQVVLQHALSLVQGSANLIHEIAQLNKLDAGELRFGSGPAPAQQLVPDAVADFINRHPRVQISLDVDNWEKLSRALLREEIEFFVADIRDFEADPNFQTRPLTPRRGQFFCRPQHPLLGKDSLSTNDLFNYPLASTLIPPGIRK-L-LANLSGKIDFAANIRCENMHALIRIVRQTDAIGIASDETLRPYLQRGELQPLQWRNLPQNLDSLSARCGIISRSGYRLSAAAKAMIETLVELDQAQHAAA |
3SZP Chain:A ((1-290)) | MKLDDLNLFRLVVENGSYTSTSKKTMIPVATITRRIQALEDSLNLRLLNRHARKLTLTEAGERFYKDCSPLLERLASMTEEITDECRGASGRIRISAPSNLTKRMMMPMFNAFMEKYPDIHIELMMSNQ---ADDLDPTEWDVIFRVGPQR--DSSLIARKIGEVKDILVASPQYLSSHPQPTHAEELHQHQLLKGYPLLKWQLTNSQGETVVNSDRGR-FQASALNVVRSACSEGLGITLMPDVMLREFLEDGSLVQVLSDWSS-----NPRDIYMLYNHKDHQPEKVRLFIDFVIGYHL------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SZP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -110693 for 2115 contacts (-52.3/contact) +
2D Compatibility (PS) -29999 + (NN) -6056 + (LL) 1364
1D Compatibility (HY) -13200 + (ID) 2300
Total energy: -160884.0 ( -76.07 by residue)
QMean score : 0.407
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