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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DLFVPPID
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DLFVPPID

Chain assignments

Content subtype: combined_30341_6axi.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 8, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 45
     • ¹³C chemical shifts: 26
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	50	44	88.0
         13C chemical shifts	41	26	63.4

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	14	13	92.9
         13C chemical shifts	16	11	68.8

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	36	31	86.1
         13C chemical shifts	25	15	60.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	6	5	83.3
         13C chemical shifts	6	1	16.7

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	5	5	100.0
         13C chemical shifts	5	1	20.0

   • Peptide bond of PRO
     • A:5:PRO, CB: 31.948 ppm, CG: 22.982 ppm
       • Peptide_bond (pred. by CS): cis
       • Peptide_bond (coordinates): cis
     • A:6:PRO, CB: 33.901 ppm, CG: 26.734 ppm
       • Peptide_bond (pred. by CS): cis 70.0%, trans 30.0%
       • Peptide_bond (coordinates): trans
   • 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: 8, Sequence coverage: 100.0%

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   • Total number of restraints: 63
     • Intra-residue restraints, i = j : 35
     • Sequential restraints, | i - j | = 1 : 20
       • Backbone-backbone: 6
       • Backbone-side chain: 13
       • Side chain-side chain: 1
     • Medium range restraints, 1 < | i - j | < 5 : 4
       • Backbone-side chain: 4
     • Long range restraints, | i - j | >= 5 : 4
   • Weight of restraints: 1.0 (63)
     • Intra-residue restraints, i = j : 1.0 (35)
     • Sequential restraints, | i - j | = 1 : 1.0 (20)
       • Backbone-backbone: 1.0 (6)
       • Backbone-side chain: 1.0 (13)
       • Side chain-side chain: 1.0 (1)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (4)
       • Backbone-side chain: 1.0 (4)
     • Long range restraints, | i - j | >= 5 : 1.0 (4)
   • Potential type of restraints: square-well-parabolic (63)
     • Intra-residue restraints, i = j : square-well-parabolic (35)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (20)
       • Backbone-backbone: square-well-parabolic (6)
       • Backbone-side chain: square-well-parabolic (13)
       • Side chain-side chain: square-well-parabolic (1)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (4)
       • Backbone-side chain: square-well-parabolic (4)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (4)
   • Range of distance target values: 3.9, 3.9 (Å)
   • Distance restraints per residue
     • Chain_ID: A
   • Distance restraints on contact map
     • Chain_ID_1: A - Chain_ID_2: A