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_25962_2nb5.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 95
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	96	94	97.9

       • 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	64	63	98.4

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	4	4	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	20	19	95.0

   • 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: DYANA/DIANA_distance_constraints_3
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 100.0%

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   • Total number of restraints: 192
     • Intra-residue restraints, i = j : 46
     • Sequential restraints, | i - j | = 1 : 79
       • Backbone-backbone: 14
       • Backbone-side chain: 48
       • Side chain-side chain: 16
     • Medium range restraints, 1 < | i - j | < 5 : 29
       • Backbone-backbone: 1
       • Backbone-side chain: 14
       • Side chain-side chain: 14
     • Long range restraints, | i - j | >= 5 : 38
   • Weight of restraints: 1.0 (192)
     • Intra-residue restraints, i = j : 1.0 (46)
     • Sequential restraints, | i - j | = 1 : 1.0 (79)
       • Backbone-backbone: 1.0 (14)
       • Backbone-side chain: 1.0 (48)
       • Side chain-side chain: 1.0 (16)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (29)
       • Backbone-backbone: 1.0 (1)
       • Backbone-side chain: 1.0 (14)
       • Side chain-side chain: 1.0 (14)
     • Long range restraints, | i - j | >= 5 : 1.0 (38)
   • Potential type of restraints: upper-bound-parabolic (192)
     • Intra-residue restraints, i = j : upper-bound-parabolic (46)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (79)
       • Backbone-backbone: upper-bound-parabolic (14)
       • Backbone-side chain: upper-bound-parabolic (48)
       • Side chain-side chain: upper-bound-parabolic (16)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (29)
       • Backbone-backbone: upper-bound-parabolic (1)
       • Backbone-side chain: upper-bound-parabolic (14)
       • Side chain-side chain: upper-bound-parabolic (14)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (38)
   • Range of distance target values: 2.4, 5.5 (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
   • Saveframe: DYANA/DIANA_distance_constraints_2
     • Status: Warning
     • Experiment type: hbond
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 23.5%
     • Total number of restraints: 6
       • Total hydrogen bond restraints: 6
     • Weight of restraints: 1.0 (6)
       • Total hydrogen bond restraints: 1.0 (6)
     • Potential type of restraints: upper-bound-parabolic (6)
       • Total hydrogen bond restraints: upper-bound-parabolic (6)
     • Range of distance target values: 2.3, 3.3 (Å)
     • Histogram of distance target values
     • Distance restraints per residue
       • Chain_ID: A
     • Distance restraints on contact map

Dihedral angle restraints

1. Saveframe: DYANA/DIANA_dihedral_4
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 94.1%

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   • Total number of restraints: 33
     • Chi1 angle constraints: 12
     • Phi angle constraints: 10
     • Psi angle constraints: 11
   • Total number of restraints per polymer type: 33
     • Protein: 33
   • Weight of restraints: 1.0 (33)
     • Chi1 angle constraints: 1.0 (12)
     • Phi angle constraints: 1.0 (10)
     • Psi angle constraints: 1.0 (11)
   • Potential type of restraints: square-well-parabolic (33)
     • Chi1 angle constraints: square-well-parabolic (12)
     • Phi angle constraints: square-well-parabolic (10)
     • Psi angle constraints: square-well-parabolic (11)
   • Plot of Phi-Psi angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A