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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GLFDIVKKVLKLLKX
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GLFDIVKKVLKLLKX

Chain assignments

Content subtype: combined_34314_6hne.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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     GLFDIVKKVLKLLKX
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     GLFDIVKKVLKLLKX
     

   • Total number of assignments
     • ¹H chemical shifts: 102
     • ¹³C chemical shifts: 61
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	103	102	99.0
         13C chemical shifts	77	61	79.2

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	29	28	96.6
         13C chemical shifts	28	14	50.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	74	74	100.0
         13C chemical shifts	49	47	95.9

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	14	14	100.0
         13C chemical shifts	14	14	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: 24.189 ppm, CD2: 22.895 ppm
       • Rotameric_state (pred. by CS): gauche+ 37.1%, trans 62.9%, gauche- 0.0%
       • Rotameric_state (coordinates): trans
     • A:5:ILE, CD1: 12.018 ppm
       • Rotameric_state (pred. by CS): gauche+ 2.3%, trans 47.1%, gauche- 50.6%
       • Rotameric_state (coordinates): trans
     • A:6:VAL, CG1: 22.152 ppm, CG2: 20.663 ppm
       • Rotameric_state (pred. by CS): gauche+ 27.2%, trans 30.4%, gauche- 42.4%
       • Rotameric_state (coordinates): trans
     • A:9:VAL, CG1: 22.128 ppm, CG2: 20.686 ppm
       • Rotameric_state (pred. by CS): gauche+ 27.6%, trans 30.6%, gauche- 41.8%
       • Rotameric_state (coordinates): trans
     • A:10:LEU, CD1: 22.141 ppm, CD2: 24.914 ppm
       • Rotameric_state (pred. by CS): gauche+ 77.7%, trans 22.3%, gauche- 0.0%
       • Rotameric_state (coordinates): gauche+
     • A:12:LEU, CD1: 23.195 ppm, CD2: 24.378 ppm
       • Rotameric_state (pred. by CS): gauche+ 61.8%, trans 38.2%, gauche- 0.0%
       • Rotameric_state (coordinates): trans
     • A:13:LEU, CD1: 21.983 ppm, CD2: 24.999 ppm
       • Rotameric_state (pred. by CS): gauche+ 80.2%, trans 19.8%, 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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     GLFDIVKKVLKLLK 
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   • Total number of restraints: 276
     • Intra-residue restraints, i = j : 90
     • Sequential restraints, | i - j | = 1 : 79
       • Backbone-backbone: 16
       • Backbone-side chain: 54
       • Side chain-side chain: 9
     • Medium range restraints, 1 < | i - j | < 5 : 106
       • Backbone-backbone: 41
       • Backbone-side chain: 53
       • Side chain-side chain: 12
     • Long range restraints, | i - j | >= 5 : 1
   • Weight of restraints: 1.0 (276)
     • Intra-residue restraints, i = j : 1.0 (90)
     • Sequential restraints, | i - j | = 1 : 1.0 (79)
       • Backbone-backbone: 1.0 (16)
       • Backbone-side chain: 1.0 (54)
       • Side chain-side chain: 1.0 (9)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (106)
       • Backbone-backbone: 1.0 (41)
       • Backbone-side chain: 1.0 (53)
       • Side chain-side chain: 1.0 (12)
     • Long range restraints, | i - j | >= 5 : 1.0 (1)
   • Potential type of restraints: upper-bound-parabolic (276)
     • Intra-residue restraints, i = j : upper-bound-parabolic (90)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (79)
       • Backbone-backbone: upper-bound-parabolic (16)
       • Backbone-side chain: upper-bound-parabolic (54)
       • Side chain-side chain: upper-bound-parabolic (9)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (106)
       • Backbone-backbone: upper-bound-parabolic (41)
       • Backbone-side chain: upper-bound-parabolic (53)
       • Side chain-side chain: upper-bound-parabolic (12)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (1)
   • Range of distance target values: 2.9, 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