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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Chain assignments

Content subtype: combined_19094_2m5z.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 44, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 266
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Comp_ID in statistics

         Comp_index_ID	Comp_ID
         1	FME

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	300	261	87.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	89	87	97.8

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	211	174	82.5

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	29	25	86.2

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	38	30	78.9

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

Covalent bonds

1. Saveframe: assembly
   • Status: OK

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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   • Total number of restraints: 866
     • Intra-residue restraints, i = j : 238
     • Sequential restraints, | i - j | = 1 : 199
       • Backbone-backbone: 42
       • Backbone-side chain: 121
       • Side chain-side chain: 36
     • Medium range restraints, 1 < | i - j | < 5 : 247
       • Backbone-backbone: 58
       • Backbone-side chain: 82
       • Side chain-side chain: 107
     • Long range restraints, | i - j | >= 5 : 182
   • Weight of restraints: 1.0 (866)
     • Intra-residue restraints, i = j : 1.0 (238)
     • Sequential restraints, | i - j | = 1 : 1.0 (199)
       • Backbone-backbone: 1.0 (42)
       • Backbone-side chain: 1.0 (121)
       • Side chain-side chain: 1.0 (36)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (247)
       • Backbone-backbone: 1.0 (58)
       • Backbone-side chain: 1.0 (82)
       • Side chain-side chain: 1.0 (107)
     • Long range restraints, | i - j | >= 5 : 1.0 (182)
   • Potential type of restraints: upper-bound-parabolic (866)
     • Intra-residue restraints, i = j : upper-bound-parabolic (238)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (199)
       • Backbone-backbone: upper-bound-parabolic (42)
       • Backbone-side chain: upper-bound-parabolic (121)
       • Side chain-side chain: upper-bound-parabolic (36)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (247)
       • Backbone-backbone: upper-bound-parabolic (58)
       • Backbone-side chain: upper-bound-parabolic (82)
       • Side chain-side chain: upper-bound-parabolic (107)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (182)
   • Range of distance target values: 2.73, 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