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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Chain assignments

Content subtype: combined_19190_2m7i.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 14, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 95
     • ¹³C chemical shifts: 30
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Comp_ID in statistics

         Comp_index_ID	Comp_ID
         6	DLY
         13	DPR

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	90	83	92.2
         13C chemical shifts	59	25	42.4

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	23	22	95.7
         13C chemical shifts	20	12	60.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	67	61	91.0
         13C chemical shifts	39	13	33.3

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	4	4	100.0
         13C chemical shifts	4	1	25.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	12	12	100.0
         13C chemical shifts	10	0	0.0

   • Peptide bond of PRO
     • A:14:PRO, CB: 32.27 ppm, CG: None ppm
       • Peptide_bond (pred. by CS): cis 20.3%, trans 79.7%
       • Peptide_bond (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: 14, Sequence coverage: 78.6%

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   • Total number of restraints: 100
     • Intra-residue restraints, i = j : 33
     • Sequential restraints, | i - j | = 1 : 20
       • Backbone-backbone: 4
       • Backbone-side chain: 15
     • Medium range restraints, 1 < | i - j | < 5 : 4
       • Side chain-side chain: 4
     • Long range restraints, | i - j | >= 5 : 43
   • Weight of restraints: 1.0 (100)
     • Intra-residue restraints, i = j : 1.0 (33)
     • Sequential restraints, | i - j | = 1 : 1.0 (20)
       • Backbone-backbone: 1.0 (4)
       • Backbone-side chain: 1.0 (15)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (4)
       • Side chain-side chain: 1.0 (4)
     • Long range restraints, | i - j | >= 5 : 1.0 (43)
   • Potential type of restraints: upper-bound-parabolic (100)
     • Intra-residue restraints, i = j : upper-bound-parabolic (33)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (20)
       • Backbone-backbone: upper-bound-parabolic (4)
       • Backbone-side chain: upper-bound-parabolic (15)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (4)
       • Side chain-side chain: upper-bound-parabolic (4)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (43)
   • Range of distance target values: 2.46, 7.54 (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