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

-0--------10--------20-------
GSGYIPRAPRDGQAYVRKDGEWVLLSTFL
|||||||||||||||||||||||||||||
GSGYIPRAPRDGQAYVRKDGEWVLLSTFL
--------10--------20---------

Chain assignments

Content subtype: combined_16090_2kbl.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 29, Sequence coverage: 89.7%

     -0--------10--------20-------
     GSGYIPRAPRDGQAYVRKDGEWVLLSTFL
        ||||||||||||||||||||||||||
     ...YIPRAPRDGQAYVRKDGEWVLLSTFL
     

   • Total number of assignments
     • ¹H chemical shifts: 162
     • ¹⁵N chemical shifts: 26
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	176	162	92.0
         15N chemical shifts	32	26	81.2

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	60	52	86.7
         15N chemical shifts	27	24	88.9

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	116	110	94.8
         15N chemical shifts	5	2	40.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	15	15	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	19	19	100.0
         15N chemical shifts	1	1	100.0

   • 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: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 29, Sequence coverage: 89.7%

     -0--------10--------20-------
     GSGYIPRAPRDGQAYVRKDGEWVLLSTFL
        ||||||||||||||||||||||||||
     ...YIPRAPRDGQAYVRKDGEWVLLSTFL
     

   • Total number of restraints: 425
     • Intra-residue restraints, i = j : 85
     • Sequential restraints, | i - j | = 1 : 170
       • Backbone-backbone: 42
       • Backbone-side chain: 105
       • Side chain-side chain: 23
     • Medium range restraints, 1 < | i - j | < 5 : 66
       • Backbone-backbone: 12
       • Backbone-side chain: 20
       • Side chain-side chain: 34
     • Long range restraints, | i - j | >= 5 : 94
     • Total hydrogen bond restraints: 10
       • O...h-N: 2
       • O...H-x: 2
       • Long range: 6
         • O...h-N: 3
         • O...H-x: 3
   • Weight of restraints: 1.0 (425)
     • Intra-residue restraints, i = j : 1.0 (85)
     • Sequential restraints, | i - j | = 1 : 1.0 (170)
       • Backbone-backbone: 1.0 (42)
       • Backbone-side chain: 1.0 (105)
       • Side chain-side chain: 1.0 (23)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (66)
       • Backbone-backbone: 1.0 (12)
       • Backbone-side chain: 1.0 (20)
       • Side chain-side chain: 1.0 (34)
     • Long range restraints, | i - j | >= 5 : 1.0 (94)
     • Total hydrogen bond restraints: 1.0 (10)
       • O...h-N: 1.0 (2)
       • O...H-x: 1.0 (2)
       • Long range: 1.0 (6)
         • O...h-N: 1.0 (3)
         • O...H-x: 1.0 (3)
   • Potential type of restraints: square-well-parabolic (425)
     • Intra-residue restraints, i = j : square-well-parabolic (85)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (170)
       • Backbone-backbone: square-well-parabolic (42)
       • Backbone-side chain: square-well-parabolic (105)
       • Side chain-side chain: square-well-parabolic (23)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (66)
       • Backbone-backbone: square-well-parabolic (12)
       • Backbone-side chain: square-well-parabolic (20)
       • Side chain-side chain: square-well-parabolic (34)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (94)
     • Total hydrogen bond restraints: square-well-parabolic (10)
       • O...h-N: square-well-parabolic (2)
       • O...H-x: square-well-parabolic (2)
       • Long range: square-well-parabolic (6)
         • O...h-N: square-well-parabolic (3)
         • O...H-x: square-well-parabolic (3)
   • Range of distance target values: 2.15, 7.0 (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