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_18163_2lnf.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 13, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 98
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	97	96	99.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	24	23	95.8

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	73	73	100.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	6	6	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	8	8	100.0

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

Distance restraints

1. Saveframe: CNS/XPLOR_distance_constraints_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 13, Sequence coverage: 100.0%

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   • Total number of restraints: 214
     • Intra-residue restraints, i = j : 140
     • Sequential restraints, | i - j | = 1 : 41
       • Backbone-backbone: 3
       • Backbone-side chain: 12
       • Side chain-side chain: 26
     • Medium range restraints, 1 < | i - j | < 5 : 33
       • Backbone-backbone: 1
       • Backbone-side chain: 12
       • Side chain-side chain: 20
   • Weight of restraints: 1.0 (214)
     • Intra-residue restraints, i = j : 1.0 (140)
     • Sequential restraints, | i - j | = 1 : 1.0 (41)
       • Backbone-backbone: 1.0 (3)
       • Backbone-side chain: 1.0 (12)
       • Side chain-side chain: 1.0 (26)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (33)
       • Backbone-backbone: 1.0 (1)
       • Backbone-side chain: 1.0 (12)
       • Side chain-side chain: 1.0 (20)
   • Potential type of restraints: square-well-parabolic (214)
     • Intra-residue restraints, i = j : square-well-parabolic (140)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (41)
       • Backbone-backbone: square-well-parabolic (3)
       • Backbone-side chain: square-well-parabolic (12)
       • Side chain-side chain: square-well-parabolic (26)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (33)
       • Backbone-backbone: square-well-parabolic (1)
       • Backbone-side chain: square-well-parabolic (12)
       • Side chain-side chain: square-well-parabolic (20)
   • Range of distance target values: 2.65, 3.9 (Å)
   • Histogram of distance target values
   • Distance restraints per residue
     • Chain_ID: A
   • Distance restraints on contact map
     • Chain_ID_1: A - Chain_ID_2: A

Dihedral angle restraints

1. Saveframe: CNS/XPLOR_dihedral_3
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 13, Sequence coverage: 100.0%

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   • Total number of restraints: 10
     • Phi angle constraints: 10
   • Total number of restraints per polymer type: 10
     • Protein: 10
   • Weight of restraints: 1.0 (10)
     • Phi angle constraints: 1.0 (10)
   • Potential type of restraints: square-well-parabolic (10)
     • Phi angle constraints: square-well-parabolic (10)
   • Dihedral angle restraints per residue
     • Chain_ID: A