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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RXKDLRHAFRSMFPSSE

Chain assignments

Content subtype: combined_25470_2mz2.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: 74
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	111	74	66.7

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	33	32	97.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	78	42	53.8

       • 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	12	2	16.7

   • 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_2
   • Status: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 94.1%

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   • Total number of restraints: 92
     • Intra-residue restraints, i = j : 15
     • Sequential restraints, | i - j | = 1 : 48
       • Backbone-backbone: 25
       • Backbone-side chain: 23
     • Medium range restraints, 1 < | i - j | < 5 : 28
       • Backbone-backbone: 18
       • Backbone-side chain: 10
     • Total hydrogen bond restraints: 1
       • N...H-x: 1
   • Weight of restraints: 1.0 (92)
     • Intra-residue restraints, i = j : 1.0 (15)
     • Sequential restraints, | i - j | = 1 : 1.0 (48)
       • Backbone-backbone: 1.0 (25)
       • Backbone-side chain: 1.0 (23)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (28)
       • Backbone-backbone: 1.0 (18)
       • Backbone-side chain: 1.0 (10)
     • Total hydrogen bond restraints: 1.0 (1)
       • N...H-x: 1.0 (1)
   • Potential type of restraints: upper-bound-parabolic (92)
     • Intra-residue restraints, i = j : upper-bound-parabolic (15)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (48)
       • Backbone-backbone: upper-bound-parabolic (25)
       • Backbone-side chain: upper-bound-parabolic (23)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (28)
       • Backbone-backbone: upper-bound-parabolic (18)
       • Backbone-side chain: upper-bound-parabolic (10)
     • Total hydrogen bond restraints: upper-bound-parabolic (1)
       • N...H-x: upper-bound-parabolic (1)
   • Range of distance target values: 1.51, 4.5 (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
   • Saveframe: DYANA/DIANA_distance_constraints_4
     • Status: Warning
     • Experiment type: undefined
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 5.9%
     • Total number of restraints: 5
       • Intra-residue restraints, i = j : 5
     • Weight of restraints: 1.0 (5)
       • Intra-residue restraints, i = j : 1.0 (5)
     • Potential type of restraints: upper-bound-parabolic (5)
       • Intra-residue restraints, i = j : upper-bound-parabolic (5)
     • Range of distance target values: 1.49, 2.39 (Å)
     • Histogram of distance target values
     • Distance restraints per residue
       • Chain_ID: A
     • Distance restraints on contact map
     • Saveframe: DYANA/DIANA_distance_constraints_3
       • Status: Warning
       • Experiment type: hbond
       • Sequence coverage of experimental data
         • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 47.1%
       • Total number of restraints: 10
         • Total hydrogen bond restraints: 10
           • O...H-x (too close!): 5
           • O...h-N (too close!): 5
       • Weight of restraints: 1.0 (10)
         • Total hydrogen bond restraints: 1.0 (10)
           • O...H-x (too close!): 1.0 (5)
           • O...h-N (too close!): 1.0 (5)
       • Potential type of restraints: upper-bound-parabolic (10)
         • Total hydrogen bond restraints: upper-bound-parabolic (10)
           • O...H-x (too close!): upper-bound-parabolic (5)
           • O...h-N (too close!): upper-bound-parabolic (5)
       • Range of distance target values: 1.8, 2.7 (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_5
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 88.2%

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   • Total number of restraints: 13
     • Phi angle constraints: 13
   • Total number of restraints per polymer type: 13
     • Protein: 13
   • Weight of restraints: 1.0 (13)
     • Phi angle constraints: 1.0 (13)
   • Potential type of restraints: square-well-parabolic (13)
     • Phi angle constraints: square-well-parabolic (13)
   • Dihedral angle restraints per residue
     • Chain_ID: A