Properties

Disulfide bonds

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

Non-standard residues

Sequence alignments

• Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

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MTGLAEAIANTVQAAQQHDSVKLGTSIVDIVANGVGLLGKLFGF
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MTGLAEAIANTVQAAQQHDSVKLGTSIVDIVANGVGLLGKLFGF

Chain assignments

Content subtype: combined_30107_5kgz.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 44, Sequence coverage: 100.0%

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     MTGLAEAIANTVQAAQQHDSVKLGTSIVDIVANGVGLLGKLFGF
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     MTGLAEAIANTVQAAQQHDSVKLGTSIVDIVANGVGLLGKLFGF
     

   • Total number of assignments
     • ¹H chemical shifts: 201
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         18	HIS	HD1	7.3862
         18	HIS	HE2	8.6035
         20	SER	HG	4.0356

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	238	198	83.2

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	94	90	95.7

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	144	108	75.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	36	33	91.7

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	12	6	50.0

   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: A

Distance restraints

1. Saveframe: DYANA/DIANA_distance_constraints_2
   • Status: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 44, Sequence coverage: 97.7%

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     MTGLAEAIANTVQAAQQHDSVKLGTSIVDIVANGVGLLGKLFGF
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     .TGLAEAIANTVQAAQQHDSVKLGTSIVDIVANGVGLLGKLFGF
     

   • Total number of restraints: 789
     • Intra-residue restraints, i = j : 245
     • Sequential restraints, | i - j | = 1 : 249
       • Backbone-backbone: 48
       • Backbone-side chain: 165
       • Side chain-side chain: 36
     • Medium range restraints, 1 < | i - j | < 5 : 243
       • Backbone-backbone: 66
       • Backbone-side chain: 111
       • Side chain-side chain: 66
     • Long range restraints, | i - j | >= 5 : 52
   • Weight of restraints: 1.0 (789)
     • Intra-residue restraints, i = j : 1.0 (245)
     • Sequential restraints, | i - j | = 1 : 1.0 (249)
       • Backbone-backbone: 1.0 (48)
       • Backbone-side chain: 1.0 (165)
       • Side chain-side chain: 1.0 (36)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (243)
       • Backbone-backbone: 1.0 (66)
       • Backbone-side chain: 1.0 (111)
       • Side chain-side chain: 1.0 (66)
     • Long range restraints, | i - j | >= 5 : 1.0 (52)
   • Potential type of restraints: upper-bound-parabolic (789)
     • Intra-residue restraints, i = j : upper-bound-parabolic (245)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (249)
       • Backbone-backbone: upper-bound-parabolic (48)
       • Backbone-side chain: upper-bound-parabolic (165)
       • Side chain-side chain: upper-bound-parabolic (36)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (243)
       • Backbone-backbone: upper-bound-parabolic (66)
       • Backbone-side chain: upper-bound-parabolic (111)
       • Side chain-side chain: upper-bound-parabolic (66)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (52)
   • Range of distance target values: 2.4, 5.5 (Å)
   • Histogram of distance target values
   • Histogram of discrepancy in distance target values
   • Distance restraints per residue
     • Chain_ID: A
   • Distance restraints on contact map
     • Chain_ID_1: A - Chain_ID_2: A