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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EMRLSKFFRDFILQRKK
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EMRLSKFFRDFILQRKK

Chain assignments

Content subtype: combined_30416_6cj8.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 94.1%

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     .MRLSKFFRDFILQRKK
     

   • Total number of assignments
     • ¹H chemical shifts: 102
     • ¹³C chemical shifts: 32
     • ¹⁵N chemical shifts: 18
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	134	102	76.1
         13C chemical shifts	94	32	34.0
         15N chemical shifts	21	18	85.7

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	34	31	91.2
         13C chemical shifts	34	16	47.1
         15N chemical shifts	17	14	82.4

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	100	71	71.0
         13C chemical shifts	60	16	26.7
         15N chemical shifts	4	4	100.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	7	6	85.7
         13C chemical shifts	7	0	0.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	15	6	40.0
         13C chemical shifts	15	0	0.0

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

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     EMRLSKFFRDFILQRKK
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     .MRLSKFFRDFILQRKK
     

   • Total number of restraints: 1081
     • Intra-residue restraints, i = j : 425
     • Sequential restraints, | i - j | = 1 : 220
       • Backbone-backbone: 28
       • Backbone-side chain: 132
       • Side chain-side chain: 60
     • Medium range restraints, 1 < | i - j | < 5 : 371
       • Backbone-backbone: 43
       • Backbone-side chain: 181
       • Side chain-side chain: 147
     • Long range restraints, | i - j | >= 5 : 65
   • Weight of restraints: 1.0 (1081)
     • Intra-residue restraints, i = j : 1.0 (425)
     • Sequential restraints, | i - j | = 1 : 1.0 (220)
       • Backbone-backbone: 1.0 (28)
       • Backbone-side chain: 1.0 (132)
       • Side chain-side chain: 1.0 (60)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (371)
       • Backbone-backbone: 1.0 (43)
       • Backbone-side chain: 1.0 (181)
       • Side chain-side chain: 1.0 (147)
     • Long range restraints, | i - j | >= 5 : 1.0 (65)
   • Potential type of restraints: square-well-parabolic (1081)
     • Intra-residue restraints, i = j : square-well-parabolic (425)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (220)
       • Backbone-backbone: square-well-parabolic (28)
       • Backbone-side chain: square-well-parabolic (132)
       • Side chain-side chain: square-well-parabolic (60)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (371)
       • Backbone-backbone: square-well-parabolic (43)
       • Backbone-side chain: square-well-parabolic (181)
       • Side chain-side chain: square-well-parabolic (147)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (65)
   • Range of distance target values: 2.2, 5.0 (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