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--------
SSDFCCPKCQYQAPDMDTLQIHVMEFIE
||||||||||||||||||||||||||||
SSDFCCPKCQYQAPDMDTLQIHVMEFIE

Chain assignments

Content subtype: combined_15500_2jvy.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 28, Sequence coverage: 100.0%

     --------10--------20--------
     SSDFCCPKCQYQAPDMDTLQIHVMEFIE
     ||||||||||||||||||||||||||||
     SSDFCCPKCQYQAPDMDTLQIHVMEFIE
     

   • Total number of assignments
     • ¹H chemical shifts: 171
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	171	158	92.4

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	54	53	98.1

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	117	105	89.7

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	12	10	83.3

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	16	14	87.5

   • 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: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 28, Sequence coverage: 92.9%

     --------10--------20--------
     SSDFCCPKCQYQAPDMDTLQIHVMEFIE
      |||||||||||||||||||||||||| 
     .SDFCCPKCQYQAPDMDTLQIHVMEFI 
     --------10--------20------- 
     

   • Total number of restraints: 406
     • Intra-residue restraints, i = j : 207
     • Sequential restraints, | i - j | = 1 : 98
       • Backbone-backbone: 31
       • Backbone-side chain: 51
       • Side chain-side chain: 16
     • Medium range restraints, 1 < | i - j | < 5 : 48
       • Backbone-backbone: 11
       • Backbone-side chain: 26
       • Side chain-side chain: 10
     • Long range restraints, | i - j | >= 5 : 53
   • Weight of restraints: 1.0 (406)
     • Intra-residue restraints, i = j : 1.0 (207)
     • Sequential restraints, | i - j | = 1 : 1.0 (98)
       • Backbone-backbone: 1.0 (31)
       • Backbone-side chain: 1.0 (51)
       • Side chain-side chain: 1.0 (16)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (48)
       • Backbone-backbone: 1.0 (11)
       • Backbone-side chain: 1.0 (26)
       • Side chain-side chain: 1.0 (10)
     • Long range restraints, | i - j | >= 5 : 1.0 (53)
   • Potential type of restraints: square-well-parabolic (406)
     • Intra-residue restraints, i = j : square-well-parabolic (207)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (98)
       • Backbone-backbone: square-well-parabolic (31)
       • Backbone-side chain: square-well-parabolic (51)
       • Side chain-side chain: square-well-parabolic (16)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (48)
       • Backbone-backbone: square-well-parabolic (11)
       • Backbone-side chain: square-well-parabolic (26)
       • Side chain-side chain: square-well-parabolic (10)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (53)
   • Range of distance target values: 1.8, 4.0 (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

Dihedral angle restraints

1. Saveframe: CNS/XPLOR_dihedral_3
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 28, Sequence coverage: 57.1%

     --------10--------20--------
     SSDFCCPKCQYQAPDMDTLQIHVMEFIE
     |||    ||| || |||||| ||     
     SSD....KCQ.QA.DMDTLQ.HV     
     --------10--------20---     
     

   • Total number of restraints: 11
     • Phi angle constraints: 11
   • Total number of restraints per polymer type: 11
     • Protein: 11
   • Weight of restraints: 1.0 (11)
     • Phi angle constraints: 1.0 (11)
   • Potential type of restraints: square-well-parabolic (11)
     • Phi angle constraints: square-well-parabolic (11)
   • Dihedral angle restraints per residue
     • Chain_ID: A