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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LVFFAEDVGSNKGAIIGL
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LVFFAEDVGSNKGAIIGL

Chain assignments

Content subtype: combined_19701_2mj1.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 18, Sequence coverage: 100.0%

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     LVFFAEDVGSNKGAIIGL
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     LVFFAEDVGSNKGAIIGL
     

   • Total number of assignments
     • ¹H chemical shifts: 84
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	101	81	80.2

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	39	37	94.9

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	62	44	71.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	14	12	85.7

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	10	3	30.0

   • 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: 18, Sequence coverage: 94.4%

     --------10--------
     LVFFAEDVGSNKGAIIGL
      |||||||||||||||||
     .VFFAEDVGSNKGAIIGL
     

   • Total number of restraints: 19
     • Sequential restraints, | i - j | = 1 : 12
       • Backbone-backbone: 12
     • Medium range restraints, 1 < | i - j | < 5 : 7
       • Backbone-backbone: 7
   • Weight of restraints: 1.0 (19)
     • Sequential restraints, | i - j | = 1 : 1.0 (12)
       • Backbone-backbone: 1.0 (12)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (7)
       • Backbone-backbone: 1.0 (7)
   • Potential type of restraints: square-well-parabolic (19)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (12)
       • Backbone-backbone: square-well-parabolic (12)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (7)
       • Backbone-backbone: square-well-parabolic (7)
   • Range of distance target values: 3.0, 4.0 (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: CNS/XPLOR_distance_constraints_4
     • Status: Warning
     • Experiment type: hbond
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 18, Sequence coverage: 61.1%

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       LVFFAEDVGSNKGAIIGL
         ||  || ||| ||| |
       ..FF..DV.SNK.AII.L
       

     • Total number of restraints: 14
       • Medium range restraints, 1 < | i - j | < 5 : 7
       • Total hydrogen bond restraints: 7
         • O...h-N (too close!): 7
     • Weight of restraints: 1.0 (14)
       • Medium range restraints, 1 < | i - j | < 5 : 1.0 (7)
       • Total hydrogen bond restraints: 1.0 (7)
         • O...h-N (too close!): 1.0 (7)
     • Potential type of restraints: square-well-parabolic (14)
       • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (7)
       • Total hydrogen bond restraints: square-well-parabolic (7)
         • O...h-N (too close!): square-well-parabolic (7)
     • Range of distance target values: 1.2, 2.0 (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: 18, Sequence coverage: 50.0%

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     LVFFAEDVGSNKGAIIGL
       |||||||      || 
     ..FFAEDVG......IG 
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   • Total number of restraints: 5
     • Phi angle constraints: 5
   • Total number of restraints per polymer type: 5
     • Protein: 5
   • Weight of restraints: 1.0 (5)
     • Phi angle constraints: 1.0 (5)
   • Potential type of restraints: square-well-parabolic (5)
     • Phi angle constraints: square-well-parabolic (5)
   • Dihedral angle restraints per residue
     • Chain_ID: A