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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RLVPSGPNPLHN
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RLVPSGPNPLHN

Chain assignments

Content subtype: combined_19674_2mid.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 12, Sequence coverage: 100.0%

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     RLVPSGPNPLHN
     

   • Total number of assignments
     • ¹H chemical shifts: 62
     • ¹³C chemical shifts: 38
     • ¹⁵N chemical shifts: 11
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	74	61	82.4
         13C chemical shifts	53	38	71.7
         15N chemical shifts	12	11	91.7

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	22	21	95.5
         13C chemical shifts	24	11	45.8
         15N chemical shifts	9	9	100.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	52	40	76.9
         13C chemical shifts	29	27	93.1
         15N chemical shifts	3	2	66.7

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	6	6	100.0
         13C chemical shifts	6	6	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	2	2	100.0
         13C chemical shifts	2	2	100.0

   • Peptide bond of PRO
     • A:4:PRO, CB: 32.186 ppm, CG: 27.12 ppm
       • Peptide_bond (pred. by CS): trans
       • Peptide_bond (coordinates): trans
     • A:7:PRO, CB: 32.212 ppm, CG: 27.149 ppm
       • Peptide_bond (pred. by CS): trans
       • Peptide_bond (coordinates): trans
     • A:9:PRO, CB: 32.211 ppm, CG: 27.412 ppm
       • Peptide_bond (pred. by CS): trans
       • Peptide_bond (coordinates): trans
   • Tautomeric state of HIS
     • A:11:HIS, CG: None ppm, CD2: 120.356 ppm, ND1: None ppm, ND2: None ppm
       • Tautomeric_state (pred. by CS): biprotonated 84.0%, tau-tautomer 13.7%, pi-tautomer 2.3%
       • Tautomeric_state (coordinates): biprotonated
   • Rotameric state of ILE , LEU, and VAL
     • A:2:LEU, CD1: 23.276 ppm, CD2: 24.718 ppm
       • Rotameric_state (pred. by CS): gauche+ 64.4%, trans 35.6%, gauche- 0.0%
       • Rotameric_state (coordinates): gauche+
     • A:3:VAL, CG1: 20.24 ppm, CG2: 20.929 ppm
       • Rotameric_state (pred. by CS): gauche+ 52.7%, trans 26.0%, gauche- 21.4%
       • Rotameric_state (coordinates): trans
     • A:10:LEU, CD1: 23.706 ppm, CD2: 24.732 ppm
       • Rotameric_state (pred. by CS): gauche+ 60.3%, trans 39.7%, 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: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 12, Sequence coverage: 100.0%

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   • Total number of restraints: 65
     • Intra-residue restraints, i = j : 39
     • Sequential restraints, | i - j | = 1 : 12
       • Backbone-backbone: 4
       • Backbone-side chain: 7
       • Side chain-side chain: 1
     • Medium range restraints, 1 < | i - j | < 5 : 10
       • Backbone-backbone: 3
       • Backbone-side chain: 5
       • Side chain-side chain: 2
     • Long range restraints, | i - j | >= 5 : 4
   • Weight of restraints: 1.0 (65)
     • Intra-residue restraints, i = j : 1.0 (39)
     • Sequential restraints, | i - j | = 1 : 1.0 (12)
       • Backbone-backbone: 1.0 (4)
       • Backbone-side chain: 1.0 (7)
       • Side chain-side chain: 1.0 (1)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (10)
       • Backbone-backbone: 1.0 (3)
       • Backbone-side chain: 1.0 (5)
       • Side chain-side chain: 1.0 (2)
     • Long range restraints, | i - j | >= 5 : 1.0 (4)
   • Potential type of restraints: square-well-parabolic (65)
     • Intra-residue restraints, i = j : square-well-parabolic (39)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (12)
       • Backbone-backbone: square-well-parabolic (4)
       • Backbone-side chain: square-well-parabolic (7)
       • Side chain-side chain: square-well-parabolic (1)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (10)
       • Backbone-backbone: square-well-parabolic (3)
       • Backbone-side chain: square-well-parabolic (5)
       • Side chain-side chain: square-well-parabolic (2)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (4)
   • Range of distance target values: 1.61, 3.9 (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