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---------
IFGAILPLALGALKNLIKX
|||||||||||||||||||
IFGAILPLALGALKNLIKX

Chain assignments

Content subtype: combined_25529_2n0o.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 19, Sequence coverage: 94.7%

     --------10---------
     IFGAILPLALGALKNLIKX
     |||||||||||||||||| 
     IFGAILPLALGALKNLIK 
     --------10-------- 
     

   • Total number of assignments
     • ¹H chemical shifts: 89
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         14	LYS	HZ1	7.49
         14	LYS	HZ2	7.49
         14	LYS	HZ3	7.49
         18	LYS	HZ1	7.44
         18	LYS	HZ2	7.44
         18	LYS	HZ3	7.44

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	115	82	71.3

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	37	36	97.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	78	46	59.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	19	17	89.5

       • Aromatic group atoms

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

   • 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: 19, Sequence coverage: 94.7%

     --------10---------
     IFGAILPLALGALKNLIKX
     |||||||||||||||||| 
     IFGAILPLALGALKNLIK 
     --------10-------- 
     

   • Total number of restraints: 399
     • Intra-residue restraints, i = j : 103
     • Sequential restraints, | i - j | = 1 : 142
       • Backbone-backbone: 60
       • Backbone-side chain: 68
       • Side chain-side chain: 14
     • Medium range restraints, 1 < | i - j | < 5 : 154
       • Backbone-backbone: 70
       • Backbone-side chain: 46
       • Side chain-side chain: 38
   • Weight of restraints: 1.0 (399)
     • Intra-residue restraints, i = j : 1.0 (103)
     • Sequential restraints, | i - j | = 1 : 1.0 (142)
       • Backbone-backbone: 1.0 (60)
       • Backbone-side chain: 1.0 (68)
       • Side chain-side chain: 1.0 (14)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (154)
       • Backbone-backbone: 1.0 (70)
       • Backbone-side chain: 1.0 (46)
       • Side chain-side chain: 1.0 (38)
   • Potential type of restraints: square-well-parabolic (399)
     • Intra-residue restraints, i = j : square-well-parabolic (103)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (142)
       • Backbone-backbone: square-well-parabolic (60)
       • Backbone-side chain: square-well-parabolic (68)
       • Side chain-side chain: square-well-parabolic (14)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (154)
       • Backbone-backbone: square-well-parabolic (70)
       • Backbone-side chain: square-well-parabolic (46)
       • Side chain-side chain: square-well-parabolic (38)
   • Range of distance target values: 2.3, 3.4 (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