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_11554_2mjt.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 11, Sequence coverage: 81.8%

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   • Total number of assignments
     • ¹H chemical shifts: 68
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	79	68	86.1

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	21	17	81.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	58	51	87.9

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	10	10	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	11	10	90.9

   • 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: CNS/XPLOR_distance_constraints_2
   • Status: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 11, Sequence coverage: 81.8%

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   • Total number of restraints: 164
     • Intra-residue restraints, i = j : 87
     • Sequential restraints, | i - j | = 1 : 42
       • Backbone-backbone: 7
       • Backbone-side chain: 31
       • Side chain-side chain: 4
     • Medium range restraints, 1 < | i - j | < 5 : 35
       • Backbone-backbone: 16
       • Backbone-side chain: 11
       • Side chain-side chain: 8
   • Weight of restraints: 1.0 (164)
     • Intra-residue restraints, i = j : 1.0 (87)
     • Sequential restraints, | i - j | = 1 : 1.0 (42)
       • Backbone-backbone: 1.0 (7)
       • Backbone-side chain: 1.0 (31)
       • Side chain-side chain: 1.0 (4)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (35)
       • Backbone-backbone: 1.0 (16)
       • Backbone-side chain: 1.0 (11)
       • Side chain-side chain: 1.0 (8)
   • Potential type of restraints: square-well-parabolic (164)
     • Intra-residue restraints, i = j : square-well-parabolic (87)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (42)
       • Backbone-backbone: square-well-parabolic (7)
       • Backbone-side chain: square-well-parabolic (31)
       • Side chain-side chain: square-well-parabolic (4)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (35)
       • Backbone-backbone: square-well-parabolic (16)
       • Backbone-side chain: square-well-parabolic (11)
       • Side chain-side chain: square-well-parabolic (8)
   • Range of distance target values: 1.67, 4.83 (Å)
   • Histogram of distance target values
   • Histogram of discrepancy in distance target values
   • Distance restraints per residue
     • Chain_ID: A
     • Chain_ID: B
       None
     • Chain_ID: C
       None
   • 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: 11, Sequence coverage: 81.8%

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   • Total number of restraints: 15
     • Phi angle constraints: 7
     • Psi angle constraints: 8
   • Total number of restraints per polymer type: 15
     • Protein: 15
   • Weight of restraints: 1.0 (15)
     • Phi angle constraints: 1.0 (7)
     • Psi angle constraints: 1.0 (8)
   • Potential type of restraints: square-well-parabolic (15)
     • Phi angle constraints: square-well-parabolic (7)
     • Psi angle constraints: square-well-parabolic (8)
   • Plot of Phi-Psi angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A