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-----
AFRXTAPGHSXGVGH
|||||||||||||||
AFRXTAPGHSXGVGH

Chain assignments

Content subtype: combined_19555_2mfm.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 15, Sequence coverage: 86.7%
   • Total number of assignments
     • ¹H chemical shifts: 58
     • ¹³C chemical shifts: 26
     • ¹⁵N chemical shifts: 12
   • Completeness of assignments
   • Rotameric state of ILE , LEU, and VAL
     • A:13:VAL, CG1: 20.7055 ppm, CG2: None ppm
       • Rotameric_state (pred. by CS): gauche+ 42.2%, trans 31.8%, gauche- 26.0%
       • Rotameric_state (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: CNS/XPLOR_distance_constraints_2
   • Status: Warning
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 15, Sequence coverage: 86.7%

     --------10-----
     AFRXTAPGHSXGVGH
     ||| |||||| ||||
     AFR.TAPGHS.GVGH
     

   • Total number of restraints: 41
     • Intra-residue restraints, i = j : 25
     • Sequential restraints, | i - j | = 1 : 8
       • Backbone-backbone: 4
       • Backbone-side chain: 4
     • Medium range restraints, 1 < | i - j | < 5 : 3
       • Backbone-backbone: 2
       • Backbone-side chain: 1
     • Long range restraints, | i - j | >= 5 : 5
   • Weight of restraints: 1.0 (41)
     • Intra-residue restraints, i = j : 1.0 (25)
     • Sequential restraints, | i - j | = 1 : 1.0 (8)
       • Backbone-backbone: 1.0 (4)
       • Backbone-side chain: 1.0 (4)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (3)
       • Backbone-backbone: 1.0 (2)
       • Backbone-side chain: 1.0 (1)
     • Long range restraints, | i - j | >= 5 : 1.0 (5)
   • Potential type of restraints: square-well-parabolic (41)
     • Intra-residue restraints, i = j : square-well-parabolic (25)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (8)
       • Backbone-backbone: square-well-parabolic (4)
       • Backbone-side chain: square-well-parabolic (4)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (3)
       • Backbone-backbone: square-well-parabolic (2)
       • Backbone-side chain: square-well-parabolic (1)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (5)
   • Range of distance target values: 1.85, 4.9 (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