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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RSALVNSYLWQRWENWFWNVTLRPER
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Chain assignments

Content subtype: combined_18769_2lzq.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 26, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 181
     • ¹³C chemical shifts: 108
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	184	181	98.4
         13C chemical shifts	134	108	80.6

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	51	50	98.0
         13C chemical shifts	52	26	50.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	133	131	98.5
         13C chemical shifts	82	82	100.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	12	12	100.0
         13C chemical shifts	12	12	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	33	33	100.0
         13C chemical shifts	29	29	100.0

   • Peptide bond of PRO
     • A:24:PRO, CB: 32.233 ppm, CG: 28.203 ppm
       • Peptide_bond (pred. by CS): trans
       • Peptide_bond (coordinates): trans
   • Rotameric state of ILE , LEU, and VAL
     • A:4:LEU, CD1: 24.245 ppm, CD2: 24.686 ppm
       • Rotameric_state (pred. by CS): gauche+ 54.4%, trans 45.6%, gauche- 0.0%
       • Rotameric_state (coordinates): gauche+
     • A:5:VAL, CG1: 21.387 ppm, CG2: 21.893 ppm
       • Rotameric_state (pred. by CS): gauche+ 37.4%, trans 42.6%, gauche- 20.0%
       • Rotameric_state (coordinates): trans
     • A:9:LEU, CD1: 23.238 ppm, CD2: 25.457 ppm
       • Rotameric_state (pred. by CS): gauche+ 72.2%, trans 27.8%, gauche- 0.0%
       • Rotameric_state (coordinates): trans
     • A:20:VAL, CG1: 20.886 ppm, CG2: 21.121 ppm
       • Rotameric_state (pred. by CS): gauche+ 44.1%, trans 31.2%, gauche- 24.7%
       • Rotameric_state (coordinates): gauche-
     • A:22:LEU, CD1: 23.112 ppm, CD2: 25.441 ppm
       • Rotameric_state (pred. by CS): gauche+ 73.3%, trans 26.7%, 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

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: 26, Sequence coverage: 96.2%

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   • Total number of restraints: 222
     • Sequential restraints, | i - j | = 1 : 120
       • Backbone-backbone: 38
       • Backbone-side chain: 68
       • Side chain-side chain: 14
     • Medium range restraints, 1 < | i - j | < 5 : 100
       • Backbone-backbone: 31
       • Backbone-side chain: 39
       • Side chain-side chain: 30
     • Long range restraints, | i - j | >= 5 : 2
   • Weight of restraints: 1.0 (222)
     • Sequential restraints, | i - j | = 1 : 1.0 (120)
       • Backbone-backbone: 1.0 (38)
       • Backbone-side chain: 1.0 (68)
       • Side chain-side chain: 1.0 (14)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (100)
       • Backbone-backbone: 1.0 (31)
       • Backbone-side chain: 1.0 (39)
       • Side chain-side chain: 1.0 (30)
     • Long range restraints, | i - j | >= 5 : 1.0 (2)
   • Potential type of restraints: square-well-parabolic (222)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (120)
       • Backbone-backbone: square-well-parabolic (38)
       • Backbone-side chain: square-well-parabolic (68)
       • Side chain-side chain: square-well-parabolic (14)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (100)
       • Backbone-backbone: square-well-parabolic (31)
       • Backbone-side chain: square-well-parabolic (39)
       • Side chain-side chain: square-well-parabolic (30)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (2)
   • Range of distance target values: 2.45, 5.85 (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