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--------30-------
HAEGTFTSDVSSYLEGQAAKEFIAWLVRGRG
|||||||||||||||||||||||||||||||
HAEGTFTSDVSSYLEGQAAKEFIAWLVRGRG
--------10--------20--------30-

Chain assignments

Content subtype: combined_18378_4apd.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 31, Sequence coverage: 96.8%

     --10--------20--------30-------
     HAEGTFTSDVSSYLEGQAAKEFIAWLVRGRG
     ||||||||||||||| |||||||||||||||
     HAEGTFTSDVSSYLE.QAAKEFIAWLVRGRG
     

   • Total number of assignments
     • ¹H chemical shifts: 164
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         26	LYS	HZ1	7.74
         26	LYS	HZ2	7.74
         26	LYS	HZ3	7.74

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	175	161	92.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	66	60	90.9

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	109	101	92.7

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	16	16	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	22	20	90.9

   • 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: 31, Sequence coverage: 90.3%

     --10--------20--------30-------
     HAEGTFTSDVSSYLEGQAAKEFIAWLVRGRG
      |||||||||||||  |||||||||||||||
     .AEGTFTSDVSSYL..QAAKEFIAWLVRGRG
     

   • Total number of restraints: 495
     • Sequential restraints, | i - j | = 1 : 256
       • Backbone-backbone: 50
       • Backbone-side chain: 119
       • Side chain-side chain: 87
     • Medium range restraints, 1 < | i - j | < 5 : 224
       • Backbone-backbone: 16
       • Backbone-side chain: 109
       • Side chain-side chain: 99
     • Long range restraints, | i - j | >= 5 : 15
   • Weight of restraints: 1.0 (495)
     • Sequential restraints, | i - j | = 1 : 1.0 (256)
       • Backbone-backbone: 1.0 (50)
       • Backbone-side chain: 1.0 (119)
       • Side chain-side chain: 1.0 (87)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (224)
       • Backbone-backbone: 1.0 (16)
       • Backbone-side chain: 1.0 (109)
       • Side chain-side chain: 1.0 (99)
     • Long range restraints, | i - j | >= 5 : 1.0 (15)
   • Potential type of restraints: square-well-parabolic (495)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (256)
       • Backbone-backbone: square-well-parabolic (50)
       • Backbone-side chain: square-well-parabolic (119)
       • Side chain-side chain: square-well-parabolic (87)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (224)
       • Backbone-backbone: square-well-parabolic (16)
       • Backbone-side chain: square-well-parabolic (109)
       • Side chain-side chain: square-well-parabolic (99)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (15)
   • Range of distance target values: 2.15, 3.75 (Å)
   • Histogram of distance target values
   • Histogram of discrepancy in distance target values
   • Distance restraints per residue
     • Chain_ID: A
     • Chain_ID: B
       None
   • Distance restraints on contact map
     • Chain_ID_1: A - Chain_ID_2: A