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-------
XKRIGVRLPGHQKRIAYSLLGLKDQVX
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XKRIGVRLPGHQKRIAYSLLGLKDQVX

Chain assignments

Content subtype: combined_34138_5nz9.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 27, Sequence coverage: 100.0%

     --------10--------20-------
     XKRIGVRLPGHQKRIAYSLLGLKDQVX
     |||||||||||||||||||||||||||
     XKRIGVRLPGHQKRIAYSLLGLKDQVX
     

   • Total number of assignments
     • ¹H chemical shifts: 168
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	170	168	98.8

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	53	52	98.1

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	117	116	99.1

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	18	17	94.4

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	6	6	100.0

   • 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: DYANA/DIANA_distance_constraints_3
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 27, Sequence coverage: 92.6%

     --------10--------20-------
     XKRIGVRLPGHQKRIAYSLLGLKDQVX
      ||||||||||||||||||||||||| 
     .KRIGVRLPGHQKRIAYSLLGLKDQV 
     --------10--------20------ 
     

   • Total number of restraints: 300
     • Intra-residue restraints, i = j : 121
     • Sequential restraints, | i - j | = 1 : 122
       • Backbone-backbone: 41
       • Backbone-side chain: 50
       • Side chain-side chain: 31
     • Medium range restraints, 1 < | i - j | < 5 : 57
       • Backbone-backbone: 23
       • Backbone-side chain: 26
       • Side chain-side chain: 8
   • Weight of restraints: 1.0 (300)
     • Intra-residue restraints, i = j : 1.0 (121)
     • Sequential restraints, | i - j | = 1 : 1.0 (122)
       • Backbone-backbone: 1.0 (41)
       • Backbone-side chain: 1.0 (50)
       • Side chain-side chain: 1.0 (31)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (57)
       • Backbone-backbone: 1.0 (23)
       • Backbone-side chain: 1.0 (26)
       • Side chain-side chain: 1.0 (8)
   • Potential type of restraints: upper-bound-parabolic (300)
     • Intra-residue restraints, i = j : upper-bound-parabolic (121)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (122)
       • Backbone-backbone: upper-bound-parabolic (41)
       • Backbone-side chain: upper-bound-parabolic (50)
       • Side chain-side chain: upper-bound-parabolic (31)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (57)
       • Backbone-backbone: upper-bound-parabolic (23)
       • Backbone-side chain: upper-bound-parabolic (26)
       • Side chain-side chain: upper-bound-parabolic (8)
   • Range of distance target values: 2.93, 9.73 (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

Dihedral angle restraints

1. Saveframe: DYANA/DIANA_dihedral_2
   • Status: Warning
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 27, Sequence coverage: 100.0%

     --------10--------20-------
     XKRIGVRLPGHQKRIAYSLLGLKDQVX
     |||||||||||||||||||||||||||
     XKRIGVRLPGHQKRIAYSLLGLKDQVX
     

   • Total number of restraints: 123
     • Phi angle constraints: 37
     • Chi1 angle constraints: 37
     • Chi2 angle constraints: 16
     • Psi angle constraints: 29
     • Chi21 angle constraints: 4
   • Total number of restraints per polymer type: 123
     • Carbohydrate: 2
     • Protein: 121
   • Weight of restraints: 1.0 (123)
     • Phi angle constraints: 1.0 (37)
     • Chi1 angle constraints: 1.0 (37)
     • Chi2 angle constraints: 1.0 (16)
     • Psi angle constraints: 1.0 (29)
     • Chi21 angle constraints: 1.0 (4)
   • Potential type of restraints: square-well-parabolic (123)
     • Phi angle constraints: square-well-parabolic (37)
     • Chi1 angle constraints: square-well-parabolic (37)
     • Chi2 angle constraints: square-well-parabolic (16)
     • Psi angle constraints: square-well-parabolic (29)
     • Chi21 angle constraints: square-well-parabolic (4)
   • Plot of Phi-Psi angle restraints
   • Plot of Chi1-Chi2 angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A