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_19663_2mi1.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: 68
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         4	LYS	HZ1	7.635
         4	LYS	HZ2	7.635
         4	LYS	HZ3	7.635

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	89	64	71.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	29	28	96.6

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	60	36	60.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	3	3	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	21	6	28.6

   • 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: Warning

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: 14, Sequence coverage: 85.7%

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   • Total number of restraints: 18
     • Sequential restraints, | i - j | = 1 : 9
       • Backbone-backbone: 8
       • Backbone-side chain: 1
     • Medium range restraints, 1 < | i - j | < 5 : 6
       • Backbone-backbone: 3
       • Backbone-side chain: 1
       • Side chain-side chain: 2
     • Long range restraints, | i - j | >= 5 : 3
   • Weight of restraints: 1.0 (18)
     • Sequential restraints, | i - j | = 1 : 1.0 (9)
       • Backbone-backbone: 1.0 (8)
       • Backbone-side chain: 1.0 (1)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (6)
       • Backbone-backbone: 1.0 (3)
       • Backbone-side chain: 1.0 (1)
       • Side chain-side chain: 1.0 (2)
     • Long range restraints, | i - j | >= 5 : 1.0 (3)
   • Potential type of restraints: upper-bound-parabolic (18)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (9)
       • Backbone-backbone: upper-bound-parabolic (8)
       • Backbone-side chain: upper-bound-parabolic (1)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (6)
       • Backbone-backbone: upper-bound-parabolic (3)
       • Backbone-side chain: upper-bound-parabolic (1)
       • Side chain-side chain: upper-bound-parabolic (2)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (3)
   • Range of distance target values: 2.8, 4.1 (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

Dihedral angle restraints

1. Saveframe: DYANA/DIANA_dihedral_3
   • Status: Warning
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 14, Sequence coverage: 100.0%

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   • Total number of restraints: 41
     • Phi angle constraints: 25
     • Psi angle constraints: 8
     • Chi1 angle constraints: 4
     • Chi2 angle constraints: 2
     • Chi21 angle constraints: 2
   • Total number of restraints per polymer type: 41
     • Protein: 41
   • Weight of restraints: 1.0 (41)
     • Phi angle constraints: 1.0 (25)
     • Psi angle constraints: 1.0 (8)
     • Chi1 angle constraints: 1.0 (4)
     • Chi2 angle constraints: 1.0 (2)
     • Chi21 angle constraints: 1.0 (2)
   • Potential type of restraints: square-well-parabolic (41)
     • Phi angle constraints: square-well-parabolic (25)
     • Psi angle constraints: square-well-parabolic (8)
     • Chi1 angle constraints: square-well-parabolic (4)
     • Chi2 angle constraints: square-well-parabolic (2)
     • Chi21 angle constraints: square-well-parabolic (2)
   • Plot of Phi-Psi angle restraints
   • Plot of Chi1-Chi2 angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A