Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSNDHPQPLDAAEIPRFAGIPTFMRLPAFTDPAALQVGLIGVPWDGGTTNRAGARHGPREVRNLSSLMRKVHHVSRIAPYDLVRVGDLGDAPVNPIDLLDSLRRIEGFYRQVHAAGTLPLSVGGDHLVTLPIFRALGRERPLGMVHFDAHSDTNDRYFGDNPYTHGTPFRRAIEEGLLDPLRTVQIGIRGSVYSPDDDAFARECGIRVIHMEEFVELGVEATLAEARRVVGAGPTYVSFDVDVLDPAFAPGTGTPEIGGMTSLQAQQLVRGLRGLDLVGADVVEVSPPFDVGGATALVGATMMFELLCLLAESAARSA |
| 3NIP Chain:A ((3-318)) | --NDHPQPLDAAEIPRFAGIPTFMRLPAFTDPAALQVGLIGVPWDGGTTNRAGARHGPREVRNLSSLMRKVHHVSRIAPYDLVRVGDLGDAPVNPIDLLDSLRRIEGFYRQVHAAGTLPLSVGGDHLVTLPIFRALGRERPLGMVHFDAHSDTNDRYFGDNPYTHGTPFRRAIEEGLLDPLRTVQIGIRGSVYSPDDDAFARECGIRVIHMEEFVELGVEATLAEARRVVGAGPTYVSFDVDVLDPAFAPGTGTPEIGGMTSLQAQQLVRGLRGLDLVGADVVEVSPPFDVGGATALVGATMMFELLCLLAESAARSA |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NIP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -178407 for 2935 contacts (-60.8/contact) +
2D Compatibility (PS) -34883 + (NN) -24928 + (LL) 180
1D Compatibility (HY) -42000 + (ID) 15800
Total energy: -295838.0 ( -100.80 by residue)
QMean score : 0.524
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