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_19573_2mfv.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 14, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 67
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         13	THR	HG1	4.828
         14	THR	HG1	4.917

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	66	64	97.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	32	31	96.9

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	34	33	97.1

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	8	7	87.5

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)

   • 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: undefined
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 14, Sequence coverage: 14.3%
   • Total number of restraints: 5
     • Intra-residue restraints, i = j : 1
     • Long range restraints, | i - j | >= 5 : 4
   • Weight of restraints: 1.0 (5)
     • Intra-residue restraints, i = j : 1.0 (1)
     • Long range restraints, | i - j | >= 5 : 1.0 (4)
   • Potential type of restraints: upper-bound-parabolic (5)
     • Intra-residue restraints, i = j : upper-bound-parabolic (1)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (4)
   • Range of distance target values: 1.33, 2.42 (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
   • Saveframe: DYANA/DIANA_distance_constraints_3
     • Status: OK
     • Experiment type: noe
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 14, Sequence coverage: 100.0%

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     • Total number of restraints: 122
       • Intra-residue restraints, i = j : 39
       • Sequential restraints, | i - j | = 1 : 46
         • Backbone-backbone: 22
         • Backbone-side chain: 20
         • Side chain-side chain: 3
       • Medium range restraints, 1 < | i - j | < 5 : 7
         • Backbone-backbone: 3
         • Backbone-side chain: 4
       • Long range restraints, | i - j | >= 5 : 30
     • Weight of restraints: 1.0 (122)
       • Intra-residue restraints, i = j : 1.0 (39)
       • Sequential restraints, | i - j | = 1 : 1.0 (46)
         • Backbone-backbone: 1.0 (22)
         • Backbone-side chain: 1.0 (20)
         • Side chain-side chain: 1.0 (3)
       • Medium range restraints, 1 < | i - j | < 5 : 1.0 (7)
         • Backbone-backbone: 1.0 (3)
         • Backbone-side chain: 1.0 (4)
       • Long range restraints, | i - j | >= 5 : 1.0 (30)
     • Potential type of restraints: upper-bound-parabolic (122)
       • Intra-residue restraints, i = j : upper-bound-parabolic (39)
       • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (46)
         • Backbone-backbone: upper-bound-parabolic (22)
         • Backbone-side chain: upper-bound-parabolic (20)
         • Side chain-side chain: upper-bound-parabolic (3)
       • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (7)
         • Backbone-backbone: upper-bound-parabolic (3)
         • Backbone-side chain: upper-bound-parabolic (4)
       • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (30)
     • Range of distance target values: 2.23, 5.94 (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