Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MPAILSSRQRIALRLAWRFMAPYRWRMLGALVALLFTAAITLSLGQGIRLLVDQGFLTASPELLNRYILLFFVLVLGLAVGTFVRFYLVSWIGERFVADIRKRVFDHLIELHPGFYETNRSSEIQSRLTADTTLLQTVIGSSLSMALRNALMLVGGVLLMFVTNAKLTSIVVLALPLVIAPILLFGRRVRSLSRESQDRVADVGSYVGETLGQIKTVQAYNHQAQDRQRFAGTVERAFDTARKRIAQRAWLITVVIVLVLGAVGIMLWVGGRDVIAGSISAGELAAFVFYSLIVGMAFGTLSEVIGELQRAAGAAERIAELLRARSEIRPPAQPRKLAARVSGRIELQAVRFAYPTRPEHWAI-DDISLAVEPGETLALVGPSGAGKSTLFDLLLRFFDPQQGRLLLDGQPIVELDPADLRRSFALVSQNPALFFGSVEENIRYGRPHASAAEVEAAARAAHAHEFILGLPQGYATHLGEGGIGLSGGQRQRLAIARALLVDAPVLLLDEATSALDAESEHLIQQALPGLMSGRTTLVIAHRLATVQSADRIAVIDQGRLVAIGSHARLIAE-NPLYARLAELQFAAGGR |
2FGK Chain:B ((8-245)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ITFRNIRFRY--KPDSPVILDNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPNWLRRQVGVVLQDNVLLNRSIIDNISLANPGMSVEKVIYAAKLAGAHDFISELREGYNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDQATSALDYESEHVIMRNMHKICKGRTVIIIAHRLSTVKNADRIIVMEKGKIVEQGKHKELLSEPESLYSYLYQLQSD---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2FGK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -178390 for 1867 contacts (-95.5/contact) +
2D Compatibility (PS) -25540 + (NN) -11752 + (LL) 31652
1D Compatibility (HY) -22800 + (ID) 5500
Total energy: -212330.0 ( -113.73 by residue)
QMean score : 0.583
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