Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPAILSSRQRIALRLAWRFMAPYRWRMLGALVALLFTAAITLSLGQGIRLLVDQGFLTASPELLNRYILLFFVLVLGLAVGTFVRFYLVSWIGERFVADIRKRVFDHLIELHPGFYETNRSSEIQSRLTADTTLLQTVIGSSLSMALRNALMLVGGVLLMFVTNAKLTSIVVLALPLVIAPILLFGRRVRSLSRESQDRVADVGSYVGETLGQIKTVQAYNHQAQDRQRFAGTVERAFDTARKRIAQRAWLITVVIVLVLGAVGIMLWVGGRDVIAGSISAGELAAFVFYSLIVGMAFGTLSEVIGELQRAAGAAERIAELLRARSEIRPPAQPRKLAARVSGRIELQAVRFAYPTRPEHWAIDDISLAVEPGETLALVGPSGAGKSTLFDLLLRFFDPQQGRLLLDGQPIVELDPADLRRSFALVSQNPALFFGSVEENIRYGRPHA-SAAEVEAAARAAHAHEFILGLPQGYATHLGEGGIGLSGGQRQRLAIARALLVDAPVLLLDEATSALDAESEHLIQQAL---PGLMSGRTTLVIAHRLATVQSADRIAVIDQGRLVAIGSHARLIAENPLYARLAELQFAAGGR |
2IXF Chain:A ((12-255)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NMKGLVKFQDVSFAYPNHPNVQVLQGLTFTLYPGKVTALVGPNGSGKSTVAALLQNLYQPTGGKVLLDGEPLVQYDHHYLHTQVAAVGQEPLLFGRSFRENIAYGLTRTPTMEEITAVAMESGAHDFISGFPQGYDTEVGETGNQLSGGQRQAVALARALIRKPRLLILDQATSALDAGNQLRVQRLLYESPEWAS-RTVLLITHQLSLAERAHHILFLKEGSVCEQGTHLQLMERGGCYRSMVEA------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IXF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -168210 for 1901 contacts (-88.5/contact) +
2D Compatibility (PS) -26642 + (NN) -15678 + (LL) 31500
1D Compatibility (HY) -20400 + (ID) 5000
Total energy: -204430.0 ( -107.54 by residue)
QMean score : 0.586
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