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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RKVPTGSNPQKN
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RKVPTGSNPQKN

Chain assignments

Content subtype: combined_19678_2mig.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 12, Sequence coverage: 100.0%

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     RKVPTGSNPQKN
     

   • Total number of assignments
     • ¹H chemical shifts: 61
     • ¹³C chemical shifts: 32
     • ¹⁵N chemical shifts: 13
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	79	60	75.9
         13C chemical shifts	51	32	62.7
         15N chemical shifts	14	13	92.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	23	21	91.3
         13C chemical shifts	24	12	50.0
         15N chemical shifts	10	10	100.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	56	39	69.6
         13C chemical shifts	27	20	74.1
         15N chemical shifts	4	3	75.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	3	3	100.0
         13C chemical shifts	3	3	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)

   • Rotameric state of ILE , LEU, and VAL
     • A:3:VAL, CG1: 20.255 ppm, CG2: 21.067 ppm
       • Rotameric_state (pred. by CS): gauche+ 52.6%, trans 27.2%, gauche- 20.2%
       • Rotameric_state (coordinates): gauche-
   • 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: 12, Sequence coverage: 100.0%

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     RKVPTGSNPQKN
     

   • Total number of restraints: 67
     • Intra-residue restraints, i = j : 45
     • Sequential restraints, | i - j | = 1 : 13
       • Backbone-backbone: 7
       • Backbone-side chain: 4
       • Side chain-side chain: 2
     • Medium range restraints, 1 < | i - j | < 5 : 5
       • Backbone-backbone: 1
       • Side chain-side chain: 4
     • Long range restraints, | i - j | >= 5 : 4
   • Weight of restraints: 1.0 (67)
     • Intra-residue restraints, i = j : 1.0 (45)
     • Sequential restraints, | i - j | = 1 : 1.0 (13)
       • Backbone-backbone: 1.0 (7)
       • Backbone-side chain: 1.0 (4)
       • Side chain-side chain: 1.0 (2)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (5)
       • Backbone-backbone: 1.0 (1)
       • Side chain-side chain: 1.0 (4)
     • Long range restraints, | i - j | >= 5 : 1.0 (4)
   • Potential type of restraints: square-well-parabolic (67)
     • Intra-residue restraints, i = j : square-well-parabolic (45)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (13)
       • Backbone-backbone: square-well-parabolic (7)
       • Backbone-side chain: square-well-parabolic (4)
       • Side chain-side chain: square-well-parabolic (2)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (5)
       • Backbone-backbone: square-well-parabolic (1)
       • Side chain-side chain: square-well-parabolic (4)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (4)
   • Range of distance target values: 1.84, 4.61 (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