Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPAILSSRQRIALRLAWRFMAPYRWRMLGALVALLFTAAITLSLGQGIRLLVDQGFLTASPELLNRYILLFFVLVLGLAVGTFVRFYLVSWIGERFVADIRKRVFDHLIELHPGFYETNRSSEIQSRLTADTTLLQTVIGSSLSMALRNALMLVGGVLLMFVTNAKLTSIVVLALPLVIAPILLFGRRVRSLSRESQDRVADVGSYVGETLGQIKTVQAYNHQAQDRQRFAGTVERAFDTARKRIAQRAWLITVVIVLVLGAVGIMLWVGGRDVIAGSISAGELAAFVFYSLIVGMAFGTLSEVIGELQRAAGAAERIAELLRARSEIRPPAQPRKLAARVSGRIELQAVRFAYPTRPEHWAI-DDISLAVEPGETLALVGPSGAGKSTLFDLLLRFFDPQQGRLLLDGQPIVELDPADLRRSFALVSQNPALFFGSVEENIRYGRPHASAAEVEAAARAAHAHEFILGLPQGYATHLGEGGIGLSGGQRQRLAIARALLVDAPVLLLDEATSALDAESEHLIQQALPGLMSGRTTLVIAHRLATVQSADRIAVIDQGRLVAIGSHARLIAE-NPLYARLAELQFAAGGR |
2FGJ Chain:B ((8-245)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ITFRNIRFRY--KPDSPVILDNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPNWLRRQVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAAKLAGAHDFISELREGYNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKICKGRTVIIIAARLSTVKNADRIIVMEKGKIVEQGKHKELLSEPESLYSYLYQLQSD---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2FGJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -169400 for 1859 contacts (-91.1/contact) +
2D Compatibility (PS) -25869 + (NN) -11931 + (LL) 31652
1D Compatibility (HY) -22800 + (ID) 5500
Total energy: -203848.0 ( -109.65 by residue)
QMean score : 0.555
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