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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NLCASLRARHTIPQCRKFGRR
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NLCASLRARHTIPQCRKFGRR

Chain assignments

Content subtype: combined_36146_5z1y.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 21, Sequence coverage: 90.5%

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     NLCASLRARHTIPQCRKFGRR
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     ..CASLRARHTIPQCRKFGRR
     

   • Total number of assignments
     • ¹H chemical shifts: 124
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         17	LYS	HZ1	7.254
         17	LYS	HZ2	7.254
         17	LYS	HZ3	7.254

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	137	121	88.3

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	42	38	90.5

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	95	83	87.4

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	9	7	77.8

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	7	5	71.4

   • 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: 21, Sequence coverage: 90.5%

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     ..CASLRARHTIPQCRKFGRR
     

   • Total number of restraints: 295
     • Intra-residue restraints, i = j : 95
     • Sequential restraints, | i - j | = 1 : 98
       • Backbone-backbone: 28
       • Backbone-side chain: 55
       • Side chain-side chain: 15
     • Medium range restraints, 1 < | i - j | < 5 : 90
       • Backbone-backbone: 23
       • Backbone-side chain: 37
       • Side chain-side chain: 30
     • Long range restraints, | i - j | >= 5 : 12
   • Weight of restraints: 1.0 (295)
     • Intra-residue restraints, i = j : 1.0 (95)
     • Sequential restraints, | i - j | = 1 : 1.0 (98)
       • Backbone-backbone: 1.0 (28)
       • Backbone-side chain: 1.0 (55)
       • Side chain-side chain: 1.0 (15)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (90)
       • Backbone-backbone: 1.0 (23)
       • Backbone-side chain: 1.0 (37)
       • Side chain-side chain: 1.0 (30)
     • Long range restraints, | i - j | >= 5 : 1.0 (12)
   • Potential type of restraints: square-well-parabolic (295)
     • Intra-residue restraints, i = j : square-well-parabolic (95)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (98)
       • Backbone-backbone: square-well-parabolic (28)
       • Backbone-side chain: square-well-parabolic (55)
       • Side chain-side chain: square-well-parabolic (15)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (90)
       • Backbone-backbone: square-well-parabolic (23)
       • Backbone-side chain: square-well-parabolic (37)
       • Side chain-side chain: square-well-parabolic (30)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (12)
   • Range of distance target values: 1.17, 2.75 (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_3
     • Status: Warning
     • Experiment type: undefined
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 21, Sequence coverage: 9.5%
     • Total number of restraints: 3
       • Long range restraints, | i - j | >= 5 : 3
     • Weight of restraints: 1.0 (3)
       • Long range restraints, | i - j | >= 5 : 1.0 (3)
     • Potential type of restraints: square-well-parabolic (3)
       • Long range restraints, | i - j | >= 5 : square-well-parabolic (3)
     • Range of distance target values: 1.05, 1.55 (Å)
     • Histogram of distance target values
     • Distance restraints per residue
       • Chain_ID: A
     • Distance restraints on contact map