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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DAYAQWLADXGWASXRPPPS
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DAYAQWLADXGWASXRPPPS

Chain assignments

Content subtype: combined_19183_2m7d.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 100.0%

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     DAYAQWLADXGWASXRPPPS
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     DAYAQWLADXGWASXRPPPS
     

   • Total number of assignments
     • ¹H chemical shifts: 109
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	110	109	99.1

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	38	37	97.4

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	72	72	100.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	8	8	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	16	16	100.0

   • 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: CNS/XPLOR_distance_constraints_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 100.0%

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     DAYAQWLADXGWASXRPPPS
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     DAYAQWLADXGWASXRPPPS
     

   • Total number of restraints: 288
     • Intra-residue restraints, i = j : 125
     • Sequential restraints, | i - j | = 1 : 64
       • Backbone-backbone: 20
       • Backbone-side chain: 29
       • Side chain-side chain: 15
     • Medium range restraints, 1 < | i - j | < 5 : 37
       • Backbone-backbone: 14
       • Backbone-side chain: 18
       • Side chain-side chain: 5
     • Long range restraints, | i - j | >= 5 : 62
   • Weight of restraints: 1.0 (288)
     • Intra-residue restraints, i = j : 1.0 (125)
     • Sequential restraints, | i - j | = 1 : 1.0 (64)
       • Backbone-backbone: 1.0 (20)
       • Backbone-side chain: 1.0 (29)
       • Side chain-side chain: 1.0 (15)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (37)
       • Backbone-backbone: 1.0 (14)
       • Backbone-side chain: 1.0 (18)
       • Side chain-side chain: 1.0 (5)
     • Long range restraints, | i - j | >= 5 : 1.0 (62)
   • Potential type of restraints: square-well-parabolic (288)
     • Intra-residue restraints, i = j : square-well-parabolic (125)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (64)
       • Backbone-backbone: square-well-parabolic (20)
       • Backbone-side chain: square-well-parabolic (29)
       • Side chain-side chain: square-well-parabolic (15)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (37)
       • Backbone-backbone: square-well-parabolic (14)
       • Backbone-side chain: square-well-parabolic (18)
       • Side chain-side chain: square-well-parabolic (5)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (62)
   • Range of distance target values: 2.05, 4.76 (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: CNS/XPLOR_distance_constraints_4
     • Status: Warning
     • Experiment type: noe
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 10.0%
     • Total number of restraints: 1
       • Long range restraints, | i - j | >= 5 : 1
     • Weight of restraints: 1.0 (1)
       • Long range restraints, | i - j | >= 5 : 1.0 (1)
     • Potential type of restraints: square-well-parabolic (1)
       • Long range restraints, | i - j | >= 5 : square-well-parabolic (1)
     • Range of distance target values: 3.15, 3.15 (Å)
     • Distance restraints per residue
       • Chain_ID: A
     • Distance restraints on contact map
     • Saveframe: CNS/XPLOR_distance_constraints_3
       • Status: Warning
       • Experiment type: hbond
       • Sequence coverage of experimental data
         • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 10.0%
       • Total number of restraints: 2
         • Long range restraints, | i - j | >= 5 : 1
         • Total hydrogen bond restraints: 1
       • Weight of restraints: 1.0 (2)
         • Long range restraints, | i - j | >= 5 : 1.0 (1)
         • Total hydrogen bond restraints: 1.0 (1)
       • Potential type of restraints: square-well-parabolic (2)
         • Long range restraints, | i - j | >= 5 : square-well-parabolic (1)
         • Total hydrogen bond restraints: square-well-parabolic (1)
       • Range of distance target values: 2.05, 4.05 (Å)
       • Histogram of distance target values
       • Distance restraints per residue
         • Chain_ID: A
       • Distance restraints on contact map