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_30487_6dza.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 16, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 102
     • ¹⁵N chemical shifts: 11
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Comp_ID in statistics

         Comp_index_ID	Comp_ID
         8	DPR

       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         3	LYS	HZ1	7.566
         3	LYS	HZ2	7.566
         3	LYS	HZ3	7.566

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	110	92	83.6
         15N chemical shifts	18	11	61.1

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	30	29	96.7
         15N chemical shifts	14	11	78.6

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	80	63	78.7
         15N chemical shifts	4	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	4	2	50.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	15	6	40.0

   • 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: CNS/XPLOR_distance_constraints_2
   • Status: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 16, Sequence coverage: 100.0%

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   • Total number of restraints: 152
     • Intra-residue restraints, i = j : 84
     • Sequential restraints, | i - j | = 1 : 43
       • Backbone-backbone: 18
       • Backbone-side chain: 25
     • Medium range restraints, 1 < | i - j | < 5 : 6
       • Backbone-backbone: 3
       • Side chain-side chain: 3
     • Long range restraints, | i - j | >= 5 : 15
     • Total hydrogen bond restraints: 4
       • O...H-x: 2
       • Long range: 2
         • O...H-x: 2
   • Weight of restraints: 1.0 (152)
     • Intra-residue restraints, i = j : 1.0 (84)
     • Sequential restraints, | i - j | = 1 : 1.0 (43)
       • Backbone-backbone: 1.0 (18)
       • Backbone-side chain: 1.0 (25)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (6)
       • Backbone-backbone: 1.0 (3)
       • Side chain-side chain: 1.0 (3)
     • Long range restraints, | i - j | >= 5 : 1.0 (15)
     • Total hydrogen bond restraints: 1.0 (4)
       • O...H-x: 1.0 (2)
       • Long range: 1.0 (2)
         • O...H-x: 1.0 (2)
   • Potential type of restraints: square-well-parabolic (152)
     • Intra-residue restraints, i = j : square-well-parabolic (84)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (43)
       • Backbone-backbone: square-well-parabolic (18)
       • Backbone-side chain: square-well-parabolic (25)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (6)
       • Backbone-backbone: square-well-parabolic (3)
       • Side chain-side chain: square-well-parabolic (3)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (15)
     • Total hydrogen bond restraints: square-well-parabolic (4)
       • O...H-x: square-well-parabolic (2)
       • Long range: square-well-parabolic (2)
         • O...H-x: square-well-parabolic (2)
   • Range of distance target values: 2.0, 4.5 (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