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

--------10--------20
XIFGAIWPLALGALKNLIKX
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XIFGAIWPLALGALKNLIKX

Chain assignments

Content subtype: combined_30057_5j6t.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 90.0%

     --------10--------20
     XIFGAIWPLALGALKNLIKX
      |||||||||||||||||| 
     .IFGAIWPLALGALKNLIK 
     --------10--------- 
     

   • Total number of assignments
     • ¹H chemical shifts: 105
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         19	LYS	HZ1	7.2
         19	LYS	HZ2	7.2
         19	LYS	HZ3	7.2

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	120	102	85.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	38	36	94.7

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	82	66	80.5

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	18	12	66.7

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	11	11	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: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 20, Sequence coverage: 90.0%

     --------10--------20
     XIFGAIWPLALGALKNLIKX
      |||||||||||||||||| 
     .IFGAIWPLALGALKNLIK 
     --------10--------- 
     

   • Total number of restraints: 208
     • Intra-residue restraints, i = j : 109
     • Sequential restraints, | i - j | = 1 : 58
       • Backbone-backbone: 23
       • Backbone-side chain: 26
       • Side chain-side chain: 9
     • Medium range restraints, 1 < | i - j | < 5 : 41
       • Backbone-backbone: 31
       • Backbone-side chain: 7
       • Side chain-side chain: 3
   • Weight of restraints: 1.0 (208)
     • Intra-residue restraints, i = j : 1.0 (109)
     • Sequential restraints, | i - j | = 1 : 1.0 (58)
       • Backbone-backbone: 1.0 (23)
       • Backbone-side chain: 1.0 (26)
       • Side chain-side chain: 1.0 (9)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (41)
       • Backbone-backbone: 1.0 (31)
       • Backbone-side chain: 1.0 (7)
       • Side chain-side chain: 1.0 (3)
   • Potential type of restraints: square-well-parabolic (208)
     • Intra-residue restraints, i = j : square-well-parabolic (109)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (58)
       • Backbone-backbone: square-well-parabolic (23)
       • Backbone-side chain: square-well-parabolic (26)
       • Side chain-side chain: square-well-parabolic (9)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (41)
       • Backbone-backbone: square-well-parabolic (31)
       • Backbone-side chain: square-well-parabolic (7)
       • Side chain-side chain: square-well-parabolic (3)
   • Range of distance target values: 2.35, 3.65 (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