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

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KFGKNKSR
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KFGKNKSR

Chain assignments

Content subtype: combined_19470_2md3.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 8, Sequence coverage: 100.0%

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     KFGKNKSR
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     KFGKNKSR
     

   • Total number of assignments
     • ¹H chemical shifts: 35
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	61	34	55.7

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	17	16	94.1

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	44	18	40.9

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	5	0	0.0

   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: A

Distance restraints

1. Saveframe: DYANA/DIANA_distance_constraints_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 8, Sequence coverage: 100.0%

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     KFGKNKSR
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     KFGKNKSR
     

   • Total number of restraints: 48
     • Intra-residue restraints, i = j : 29
     • Sequential restraints, | i - j | = 1 : 19
       • Backbone-backbone: 12
       • Backbone-side chain: 6
   • Weight of restraints: 1.0 (48)
     • Intra-residue restraints, i = j : 1.0 (29)
     • Sequential restraints, | i - j | = 1 : 1.0 (19)
       • Backbone-backbone: 1.0 (12)
       • Backbone-side chain: 1.0 (6)
   • Potential type of restraints: upper-bound-parabolic (48)
     • Intra-residue restraints, i = j : upper-bound-parabolic (29)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (19)
       • Backbone-backbone: upper-bound-parabolic (12)
       • Backbone-side chain: upper-bound-parabolic (6)
   • Range of distance target values: 2.8, 4.0 (Å)
   • Histogram of 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_3
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 8, Sequence coverage: 100.0%

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     KFGKNKSR
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     KFGKNKSR
     

   • Total number of restraints: 14
     • Psi angle constraints: 7
     • Phi angle constraints: 7
   • Total number of restraints per polymer type: 14
     • Protein: 14
   • Weight of restraints: 1.0 (14)
     • Psi angle constraints: 1.0 (7)
     • Phi angle constraints: 1.0 (7)
   • Potential type of restraints: square-well-parabolic (14)
     • Psi angle constraints: square-well-parabolic (7)
     • Phi angle constraints: square-well-parabolic (7)
   • Plot of Phi-Psi angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A