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--------20--------30-
CKSGGAWCGFDPHGCCGNCGCLVGFCYGTGC
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CKSGGAWCGFDPHGCCGNCGCLVGFCYGTGC

Chain assignments

Content subtype: combined_19808_2ml7.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 31, Sequence coverage: 100.0%

     --------10--------20--------30-
     CKSGGAWCGFDPHGCCGNCGCLVGFCYGTGC
     |||||||||||||||||||||||||||||||
     CKSGGAWCGFDPHGCCGNCGCLVGFCYGTGC
     

   • Total number of assignments
     • ¹H chemical shifts: 150
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	151	150	99.3

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	70	69	98.6

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	81	81	100.0

       • Methyl group atoms

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

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	22	22	100.0

   • 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: 31, Sequence coverage: 100.0%

     --------10--------20--------30-
     CKSGGAWCGFDPHGCCGNCGCLVGFCYGTGC
     |||||||||||||||||||||||||||||||
     CKSGGAWCGFDPHGCCGNCGCLVGFCYGTGC
     

   • Total number of restraints: 586
     • Intra-residue restraints, i = j : 32
     • Sequential restraints, | i - j | = 1 : 228
       • Backbone-backbone: 106
       • Backbone-side chain: 113
       • Side chain-side chain: 9
     • Medium range restraints, 1 < | i - j | < 5 : 79
       • Backbone-backbone: 26
       • Backbone-side chain: 34
       • Side chain-side chain: 19
     • Long range restraints, | i - j | >= 5 : 247
   • Weight of restraints: 1.0 (586)
     • Intra-residue restraints, i = j : 1.0 (32)
     • Sequential restraints, | i - j | = 1 : 1.0 (228)
       • Backbone-backbone: 1.0 (106)
       • Backbone-side chain: 1.0 (113)
       • Side chain-side chain: 1.0 (9)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (79)
       • Backbone-backbone: 1.0 (26)
       • Backbone-side chain: 1.0 (34)
       • Side chain-side chain: 1.0 (19)
     • Long range restraints, | i - j | >= 5 : 1.0 (247)
   • Potential type of restraints: upper-bound-parabolic (586)
     • Intra-residue restraints, i = j : upper-bound-parabolic (32)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (228)
       • Backbone-backbone: upper-bound-parabolic (106)
       • Backbone-side chain: upper-bound-parabolic (113)
       • Side chain-side chain: upper-bound-parabolic (9)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (79)
       • Backbone-backbone: upper-bound-parabolic (26)
       • Backbone-side chain: upper-bound-parabolic (34)
       • Side chain-side chain: upper-bound-parabolic (19)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (247)
   • Range of distance target values: 2.8, 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

Dihedral angle restraints

1. Saveframe: DYANA/DIANA_dihedral_4
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 31, Sequence coverage: 61.3%

     --------10--------20--------30-
     CKSGGAWCGFDPHGCCGNCGCLVGFCYGTGC
         ||||   ||  ||||||  ||||||| 
     ....GAWC...PH..CGNCGC..GFCYGTG 
     --------10--------20--------30 
     

   • Total number of restraints: 13
     • Phi angle constraints: 13
   • Total number of restraints per polymer type: 13
     • Protein: 13
   • Weight of restraints: 1.0 (13)
     • Phi angle constraints: 1.0 (13)
   • Potential type of restraints: square-well-parabolic (13)
     • Phi angle constraints: square-well-parabolic (13)
   • Dihedral angle restraints per residue
     • Chain_ID: A