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----
VFQFLGKIIHHVGNFVHGFSHVFX
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VFQFLGKIIHHVGNFVHGFSHVFX

Chain assignments

Content subtype: combined_30396_6c41.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 24, Sequence coverage: 95.8%

     --------10--------20----
     VFQFLGKIIHHVGNFVHGFSHVFX
     ||||||||||||||||||||||| 
     VFQFLGKIIHHVGNFVHGFSHVF 
     --------10--------20--- 
     

   • Total number of assignments
     • ¹H chemical shifts: 116
     • ¹⁵N chemical shifts: 24
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         10	HIS	HE2	8.53
         11	HIS	HE2	8.492
         17	HIS	HE2	8.447
         21	HIS	HE2	7.221

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	149	112	75.2
         15N chemical shifts	26	24	92.3

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	49	47	95.9
         15N chemical shifts	24	22	91.7

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	100	65	65.0
         15N chemical shifts	2	2	100.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	14	12	85.7

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	33	5	15.2

   • 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: 24, Sequence coverage: 91.7%

     --------10--------20----
     VFQFLGKIIHHVGNFVHGFSHVFX
      |||||||||||||||||||||| 
     .FQFLGKIIHHVGNFVHGFSHVF 
     --------10--------20--- 
     

   • Total number of restraints: 392
     • Intra-residue restraints, i = j : 248
     • Sequential restraints, | i - j | = 1 : 113
       • Backbone-backbone: 48
       • Backbone-side chain: 53
       • Side chain-side chain: 12
     • Medium range restraints, 1 < | i - j | < 5 : 31
       • Backbone-backbone: 23
       • Backbone-side chain: 4
       • Side chain-side chain: 4
   • Weight of restraints: 1.0 (392)
     • Intra-residue restraints, i = j : 1.0 (248)
     • Sequential restraints, | i - j | = 1 : 1.0 (113)
       • Backbone-backbone: 1.0 (48)
       • Backbone-side chain: 1.0 (53)
       • Side chain-side chain: 1.0 (12)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (31)
       • Backbone-backbone: 1.0 (23)
       • Backbone-side chain: 1.0 (4)
       • Side chain-side chain: 1.0 (4)
   • Potential type of restraints: square-well-parabolic (392)
     • Intra-residue restraints, i = j : square-well-parabolic (248)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (113)
       • Backbone-backbone: square-well-parabolic (48)
       • Backbone-side chain: square-well-parabolic (53)
       • Side chain-side chain: square-well-parabolic (12)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (31)
       • Backbone-backbone: square-well-parabolic (23)
       • Backbone-side chain: square-well-parabolic (4)
       • Side chain-side chain: square-well-parabolic (4)
   • 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