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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GLSQGVEPDIGQTYFEESRINQD
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GLSQGVEPDIGQTYFEESRINQD

Chain assignments

Content subtype: combined_25754_2n68.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 23, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 136
     • ¹³C chemical shifts: 73
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	136	135	99.3
         13C chemical shifts	97	73	75.3

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	48	47	97.9
         13C chemical shifts	46	22	47.8

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	88	88	100.0
         13C chemical shifts	51	51	100.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	9	9	100.0
         13C chemical shifts	9	9	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	9	9	100.0
         13C chemical shifts	9	9	100.0

   • Peptide bond of PRO
     • A:8:PRO, CB: 29.987 ppm, CG: 25.059 ppm
       • Peptide_bond (pred. by CS): trans
       • Peptide_bond (coordinates): trans
   • Rotameric state of ILE , LEU, and VAL
     • A:2:LEU, CD1: 20.238 ppm, CD2: 22.596 ppm
       • Rotameric_state (pred. by CS): gauche+ 73.6%, trans 26.4%, gauche- 0.0%
       • Rotameric_state (coordinates): trans
     • A:6:VAL, CG1: 16.612 ppm, CG2: 18.359 ppm
       • Rotameric_state (pred. by CS): gauche+ 85.1%, trans 3.5%, gauche- 11.4%
       • Rotameric_state (coordinates): gauche-
     • A:10:ILE, CD1: 10.262 ppm
       • Rotameric_state (pred. by CS): gauche+ 0.8%, trans 16.7%, gauche- 82.5%
       • Rotameric_state (coordinates): trans
     • A:20:ILE, CD1: 10.059 ppm
       • Rotameric_state (pred. by CS): gauche+ 0.6%, trans 13.2%, gauche- 86.2%
       • Rotameric_state (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: DYANA/DIANA_distance_constraints_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 23, Sequence coverage: 100.0%

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   • Total number of restraints: 222
     • Intra-residue restraints, i = j : 107
     • Sequential restraints, | i - j | = 1 : 70
       • Backbone-backbone: 27
       • Backbone-side chain: 42
     • Medium range restraints, 1 < | i - j | < 5 : 1
       • Backbone-backbone: 1
     • Long range restraints, | i - j | >= 5 : 44
   • Weight of restraints: 1.0 (222)
     • Intra-residue restraints, i = j : 1.0 (107)
     • Sequential restraints, | i - j | = 1 : 1.0 (70)
       • Backbone-backbone: 1.0 (27)
       • Backbone-side chain: 1.0 (42)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (1)
       • Backbone-backbone: 1.0 (1)
     • Long range restraints, | i - j | >= 5 : 1.0 (44)
   • Potential type of restraints: upper-bound-parabolic (222)
     • Intra-residue restraints, i = j : upper-bound-parabolic (107)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (70)
       • Backbone-backbone: upper-bound-parabolic (27)
       • Backbone-side chain: upper-bound-parabolic (42)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (1)
       • Backbone-backbone: upper-bound-parabolic (1)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (44)
   • Range of distance target values: 2.28, 5.92 (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