Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSGATRKPGFTVAVLATLLAAVVVLLGAYTRLTHAGLGCPDWPGCYGFVHVPLSEAQLAHAELHFPDAPVEAQKGWNEMIHRYFAGALGLLILGLALHALVRRGRDGQPLKLPLLLLAVVIAQAAFGMWTVTLKLWPQVVTAHLLGGFTTLALLFLLALRLSGRFAARRYPAATRGLAGLALLLVIGQIALGGWVSSNYAAVACIDLPTCHGEWWPRM---DFANGF---HLTQHIG---PNYLGGQLDSDARTAIHMTHRIGALCVTLVLLLLAWRLQRSGLVWPTALMLLGLSLQIGLGISNVLLHLPLPVAVAHNGGGALLLLSLVLVNYRLRAPASVRAPAPSPQRVRRTLPPAQGSRLKAA |
| 3WEC Chain:A ((22-98)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------FKADPYPVYAR----LRTELPIHRSALGAWIVADYT--------SCDKVLRSRLFGKDFANSTFFDHLTSMMGEDMPPFLGLGIDGDARPFMLTDPPEHTRLRGLVSDAFTRSTTTSMDDIVLSAASSAVRHLEHCTDAVSEVAEPFPVEVLSSILGIPDKDRGRFSEWSNLVAGVLDINFAIPKEVADRRSAAIEESIDYF |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WEC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -14308 for 301 contacts (-47.5/contact) +
2D Compatibility (PS) -7006 + (NN) -599 + (LL) 14156
1D Compatibility (HY) -4800 + (ID) 1500
Total energy: -14057.0 ( -46.70 by residue)
QMean score : -0.180
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