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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GLFDIVKKVVGALGX
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GLFDIVKKVVGALGX

Chain assignments

Content subtype: combined_34090_5mxl.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%

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     GLFDIVKKVVGALGX
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     GLFDIVKKVVGALGX
     

   • Total number of assignments
     • ¹H chemical shifts: 82
     • ¹³C chemical shifts: 49
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	83	82	98.8
         13C chemical shifts	65	49	75.4

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	31	30	96.8
         13C chemical shifts	28	14	50.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	52	52	100.0
         13C chemical shifts	37	35	94.6

       • Methyl group atoms

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

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	5	5	100.0
         13C chemical shifts	5	3	60.0

   • Rotameric state of ILE , LEU, and VAL
     • A:2:LEU, CD1: 24.998 ppm, CD2: 24.108 ppm
       • Rotameric_state (pred. by CS): gauche+ 41.1%, trans 58.9%, gauche- 0.0%
       • Rotameric_state (coordinates): gauche+
     • A:5:ILE, CD1: 12.028 ppm
       • Rotameric_state (pred. by CS): gauche+ 2.3%, trans 47.3%, gauche- 50.4%
       • Rotameric_state (coordinates): trans
     • A:6:VAL, CG1: 22.11 ppm, CG2: 20.656 ppm
       • Rotameric_state (pred. by CS): gauche+ 27.7%, trans 30.2%, gauche- 42.1%
       • Rotameric_state (coordinates): trans
     • A:9:VAL, CG1: 22.015 ppm, CG2: 20.821 ppm
       • Rotameric_state (pred. by CS): gauche+ 29.2%, trans 32.1%, gauche- 38.7%
       • Rotameric_state (coordinates): trans
     • A:10:VAL, CG1: 22.301 ppm, CG2: 20.707 ppm
       • Rotameric_state (pred. by CS): gauche+ 25.7%, trans 31.2%, gauche- 43.1%
       • Rotameric_state (coordinates): trans
     • A:13:LEU, CD1: 23.137 ppm, CD2: 22.093 ppm
       • Rotameric_state (pred. by CS): gauche+ 39.6%, trans 60.4%, 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%

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     GLFDIVKKVVGALGX
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     GLFDIVKKVVGALG 
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   • Total number of restraints: 271
     • Intra-residue restraints, i = j : 70
     • Sequential restraints, | i - j | = 1 : 101
       • Backbone-backbone: 29
       • Backbone-side chain: 61
       • Side chain-side chain: 11
     • Medium range restraints, 1 < | i - j | < 5 : 100
       • Backbone-backbone: 37
       • Backbone-side chain: 41
       • Side chain-side chain: 22
   • Weight of restraints: 1.0 (271)
     • Intra-residue restraints, i = j : 1.0 (70)
     • Sequential restraints, | i - j | = 1 : 1.0 (101)
       • Backbone-backbone: 1.0 (29)
       • Backbone-side chain: 1.0 (61)
       • Side chain-side chain: 1.0 (11)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (100)
       • Backbone-backbone: 1.0 (37)
       • Backbone-side chain: 1.0 (41)
       • Side chain-side chain: 1.0 (22)
   • Potential type of restraints: upper-bound-parabolic (271)
     • Intra-residue restraints, i = j : upper-bound-parabolic (70)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (101)
       • Backbone-backbone: upper-bound-parabolic (29)
       • Backbone-side chain: upper-bound-parabolic (61)
       • Side chain-side chain: upper-bound-parabolic (11)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (100)
       • Backbone-backbone: upper-bound-parabolic (37)
       • Backbone-side chain: upper-bound-parabolic (41)
       • Side chain-side chain: upper-bound-parabolic (22)
   • Range of distance target values: 2.71, 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