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

---------
KRPPGFSPF
|||||||||
KRPPGFSPF

Chain assignments

Content subtype: combined_34203_6f27.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 9, Sequence coverage: 100.0%

     ---------
     KRPPGFSPF
     |||||||||
     KRPPGFSPF
     

   • Total number of assignments
     • ¹H chemical shifts: 61
     • ¹³C chemical shifts: 44
     • ¹⁵N chemical shifts: 6
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	65	61	93.8
         13C chemical shifts	47	44	93.6
         15N chemical shifts	7	6	85.7

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	16	14	87.5
         13C chemical shifts	18	17	94.4
         15N chemical shifts	6	5	83.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	49	47	95.9
         13C chemical shifts	29	27	93.1
         15N chemical shifts	1	1	100.0

       • 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	10	8	80.0
         13C chemical shifts	10	8	80.0

   • Peptide bond of PRO
     • A:3:PRO, CB: 30.7 ppm, CG: 27.34 ppm
       • Peptide_bond (pred. by CS): trans
       • Peptide_bond (coordinates): trans
     • A:4:PRO, CB: 31.91 ppm, CG: 27.38 ppm
       • Peptide_bond (pred. by CS): trans
       • Peptide_bond (coordinates): trans
     • A:8:PRO, CB: 31.72 ppm, CG: 26.72 ppm
       • Peptide_bond (pred. by CS): trans
       • Peptide_bond (coordinates): trans
   • 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: 9, Sequence coverage: 100.0%

     ---------
     KRPPGFSPF
     |||||||||
     KRPPGFSPF
     

   • Total number of restraints: 106
     • Intra-residue restraints, i = j : 75
     • Sequential restraints, | i - j | = 1 : 29
       • Backbone-backbone: 9
       • Backbone-side chain: 18
       • Side chain-side chain: 2
     • Medium range restraints, 1 < | i - j | < 5 : 2
       • Backbone-side chain: 2
   • Weight of restraints: 1.0 (106)
     • Intra-residue restraints, i = j : 1.0 (75)
     • Sequential restraints, | i - j | = 1 : 1.0 (29)
       • Backbone-backbone: 1.0 (9)
       • Backbone-side chain: 1.0 (18)
       • Side chain-side chain: 1.0 (2)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (2)
       • Backbone-side chain: 1.0 (2)
   • Potential type of restraints: square-well-parabolic (106)
     • Intra-residue restraints, i = j : square-well-parabolic (75)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (29)
       • Backbone-backbone: square-well-parabolic (9)
       • Backbone-side chain: square-well-parabolic (18)
       • Side chain-side chain: square-well-parabolic (2)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (2)
       • Backbone-side chain: square-well-parabolic (2)
   • Range of distance target values: 1.79, 4.24 (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: CNS/XPLOR_dihedral_3
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 9, Sequence coverage: 100.0%

     ---------
     KRPPGFSPF
     |||||||||
     KRPPGFSPF
     

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