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-----
KLLKLLKKVVGALGX
|||||||||||||||
KLLKLLKKVVGALGX

Chain assignments

Content subtype: combined_34316_6hnh.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 15, Sequence coverage: 100.0%

     --------10-----
     KLLKLLKKVVGALGX
     |||||||||||||||
     KLLKLLKKVVGALGX
     

   • Total number of assignments
     • ¹H chemical shifts: 94
     • ¹³C chemical shifts: 56
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	96	94	97.9
         13C chemical shifts	71	56	78.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	30	28	93.3
         13C chemical shifts	28	14	50.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	66	66	100.0
         13C chemical shifts	43	42	97.7

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	15	15	100.0
         13C chemical shifts	15	14	93.3

       • Aromatic group atoms

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

   • Rotameric state of ILE , LEU, and VAL
     • A:2:LEU, CD1: 23.849 ppm, CD2: 23.863 ppm
       • Rotameric_state (pred. by CS): gauche+ 50.1%, trans 49.9%, gauche- 0.0%
       • Rotameric_state (coordinates): gauche+
     • A:3:LEU, CD1: 23.614 ppm, CD2: 23.809 ppm
       • Rotameric_state (pred. by CS): gauche+ 52.0%, trans 48.0%, gauche- 0.0%
       • Rotameric_state (coordinates): trans
     • A:5:LEU, CD1: 24.038 ppm, CD2: 23.552 ppm
       • Rotameric_state (pred. by CS): gauche+ 45.1%, trans 54.9%, gauche- 0.0%
       • Rotameric_state (coordinates): gauche+
     • A:6:LEU, CD1: 23.0 ppm, CD2: 24.896 ppm
       • Rotameric_state (pred. by CS): gauche+ 69.0%, trans 31.0%, gauche- 0.0%
       • Rotameric_state (coordinates): gauche-
     • A:9:VAL, CG1: 20.681 ppm, CG2: 21.628 ppm
       • Rotameric_state (pred. by CS): gauche+ 46.8%, trans 35.2%, gauche- 18.1%
       • Rotameric_state (coordinates): trans
     • A:10:VAL, CG1: 20.693 ppm, CG2: 21.603 ppm
       • Rotameric_state (pred. by CS): gauche+ 46.6%, trans 35.0%, gauche- 18.4%
       • Rotameric_state (coordinates): trans
     • A:13:LEU, CD1: 22.273 ppm, CD2: None ppm
       • Rotameric_state (pred. by CS): gauche+ 67.5%, trans 32.5%, gauche- 0.0%
       • Rotameric_state (coordinates): trans
   • 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_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 15, Sequence coverage: 93.3%

     --------10-----
     KLLKLLKKVVGALGX
     |||||||||||||| 
     KLLKLLKKVVGALG 
     --------10---- 
     

   • Total number of restraints: 229
     • Intra-residue restraints, i = j : 79
     • Sequential restraints, | i - j | = 1 : 67
       • Backbone-backbone: 15
       • Backbone-side chain: 48
       • Side chain-side chain: 4
     • Medium range restraints, 1 < | i - j | < 5 : 83
       • Backbone-backbone: 26
       • Backbone-side chain: 44
       • Side chain-side chain: 13
   • Weight of restraints: 1.0 (229)
     • Intra-residue restraints, i = j : 1.0 (79)
     • Sequential restraints, | i - j | = 1 : 1.0 (67)
       • Backbone-backbone: 1.0 (15)
       • Backbone-side chain: 1.0 (48)
       • Side chain-side chain: 1.0 (4)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (83)
       • Backbone-backbone: 1.0 (26)
       • Backbone-side chain: 1.0 (44)
       • Side chain-side chain: 1.0 (13)
   • Potential type of restraints: upper-bound-parabolic (229)
     • Intra-residue restraints, i = j : upper-bound-parabolic (79)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (67)
       • Backbone-backbone: upper-bound-parabolic (15)
       • Backbone-side chain: upper-bound-parabolic (48)
       • Side chain-side chain: upper-bound-parabolic (4)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (83)
       • Backbone-backbone: upper-bound-parabolic (26)
       • Backbone-side chain: upper-bound-parabolic (44)
       • Side chain-side chain: upper-bound-parabolic (13)
   • Range of distance target values: 2.77, 5.5 (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