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

--------10--------
DCCXCXAGAVRCRFACCX
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DCCXCXAGAVRCRFACCX

Chain assignments

Content subtype: combined_30291_5vr1.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 18, Sequence coverage: 83.3%

     --------10--------
     DCCXCXAGAVRCRFACCX
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     DCC.C.AGAVRCRFACC 
     --------10------- 
     

   • Total number of assignments
     • ¹H chemical shifts: 70
     • ¹³C chemical shifts: 25
     • ¹⁵N chemical shifts: 16
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	86	70	81.4
         13C chemical shifts	65	25	38.5
         15N chemical shifts	18	16	88.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	33	30	90.9
         13C chemical shifts	34	11	32.4
         15N chemical shifts	16	14	87.5

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	53	40	75.5
         13C chemical shifts	31	14	45.2
         15N chemical shifts	2	2	100.0

       • Methyl 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

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	5	4	80.0
         13C chemical shifts	5	0	0.0

   • Redox state of CYS
     • A:2:CYS, CA: 55.409 ppm, CB: 44.746 ppm
       • Redox_state (pred. by CS): oxidized
       • Disulfide_bond (coordinates): True, Other_bond (coordinates): False
     • A:3:CYS, CA: 55.335 ppm, CB: 45.088 ppm
       • Redox_state (pred. by CS): oxidized
       • Disulfide_bond (coordinates): True, Other_bond (coordinates): False
     • A:5:CYS, CA: 52.371 ppm, CB: 43.509 ppm
       • Redox_state (pred. by CS): oxidized
       • Disulfide_bond (coordinates): True, Other_bond (coordinates): False
     • A:12:CYS, CA: None ppm, CB: 46.501 ppm
       • Redox_state (pred. by CS): oxidized
       • Disulfide_bond (coordinates): True, Other_bond (coordinates): False
     • A:16:CYS, CA: 55.042 ppm, CB: 43.254 ppm
       • Redox_state (pred. by CS): oxidized
       • Disulfide_bond (coordinates): True, Other_bond (coordinates): False
     • A:17:CYS, CA: None ppm, CB: 40.588 ppm
       • Redox_state (pred. by CS): oxidized
       • Disulfide_bond (coordinates): True, Other_bond (coordinates): False
   • 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: 18, Sequence coverage: 88.9%

     --------10--------
     DCCXCXAGAVRCRFACCX
     ||| ||||||||||||| 
     DCC.CXAGAVRCRFACC 
     --------10------- 
     

   • Total number of restraints: 228
     • Intra-residue restraints, i = j : 79
     • Sequential restraints, | i - j | = 1 : 59
       • Backbone-backbone: 19
       • Backbone-side chain: 37
       • Side chain-side chain: 3
     • Medium range restraints, 1 < | i - j | < 5 : 34
       • Backbone-backbone: 12
       • Backbone-side chain: 19
       • Side chain-side chain: 3
     • Long range restraints, | i - j | >= 5 : 56
   • Weight of restraints: 1.0 (228)
     • Intra-residue restraints, i = j : 1.0 (79)
     • Sequential restraints, | i - j | = 1 : 1.0 (59)
       • Backbone-backbone: 1.0 (19)
       • Backbone-side chain: 1.0 (37)
       • Side chain-side chain: 1.0 (3)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (34)
       • Backbone-backbone: 1.0 (12)
       • Backbone-side chain: 1.0 (19)
       • Side chain-side chain: 1.0 (3)
     • Long range restraints, | i - j | >= 5 : 1.0 (56)
   • Potential type of restraints: upper-bound-parabolic (228)
     • Intra-residue restraints, i = j : upper-bound-parabolic (79)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (59)
       • Backbone-backbone: upper-bound-parabolic (19)
       • Backbone-side chain: upper-bound-parabolic (37)
       • Side chain-side chain: upper-bound-parabolic (3)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (34)
       • Backbone-backbone: upper-bound-parabolic (12)
       • Backbone-side chain: upper-bound-parabolic (19)
       • Side chain-side chain: upper-bound-parabolic (3)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (56)
   • Range of distance target values: 2.55, 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