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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GCVXYPWC
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GCVXYPWC

Chain assignments

Content subtype: combined_19130_2m6e.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Error
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 8, Sequence coverage: 87.5%
   • Total number of assignments
     • ¹H chemical shifts: 44
     • ¹³C chemical shifts: 13
   • Completeness of assignments
   • Peptide bond of PRO
     • A:6:PRO, CB: 31.459 ppm, CG: 21.457 ppm
       • Peptide_bond (pred. by CS): cis
       • Peptide_bond (coordinates): cis
   • 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_4
   • Status: Warning
   • Experiment type: undefined
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 8, Sequence coverage: 25.0%
   • Total number of restraints: 4
     • Long range restraints, | i - j | >= 5 : 3
     • Total disulfide bond restraints: 1
   • Weight of restraints: 1.0 (4)
     • Long range restraints, | i - j | >= 5 : 1.0 (3)
     • Total disulfide bond restraints: 1.0 (1)
   • Potential type of restraints: upper-bound-parabolic (4)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (3)
     • Total disulfide bond restraints: upper-bound-parabolic (1)
   • Range of distance target values: 2.1, 4.5 (Å)
   • Histogram of distance target values
   • Distance restraints per residue
     • Chain_ID: A
   • Distance restraints on contact map
   • Saveframe: DYANA/DIANA_distance_constraints_5
     • Status: Warning
     • Experiment type: noe
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 8, Sequence coverage: 87.5%

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       GCVXYPWC
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       GCV.YPWC
       

     • Total number of restraints: 57
       • Intra-residue restraints, i = j : 26
       • Sequential restraints, | i - j | = 1 : 21
         • Backbone-backbone: 7
         • Backbone-side chain: 8
         • Side chain-side chain: 6
       • Medium range restraints, 1 < | i - j | < 5 : 10
         • Backbone-backbone: 5
         • Backbone-side chain: 5
     • Weight of restraints: 1.0 (57)
       • Intra-residue restraints, i = j : 1.0 (26)
       • Sequential restraints, | i - j | = 1 : 1.0 (21)
         • Backbone-backbone: 1.0 (7)
         • Backbone-side chain: 1.0 (8)
         • Side chain-side chain: 1.0 (6)
       • Medium range restraints, 1 < | i - j | < 5 : 1.0 (10)
         • Backbone-backbone: 1.0 (5)
         • Backbone-side chain: 1.0 (5)
     • Potential type of restraints: upper-bound-parabolic (57)
       • Intra-residue restraints, i = j : upper-bound-parabolic (26)
       • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (21)
         • Backbone-backbone: upper-bound-parabolic (7)
         • Backbone-side chain: upper-bound-parabolic (8)
         • Side chain-side chain: upper-bound-parabolic (6)
       • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (10)
         • Backbone-backbone: upper-bound-parabolic (5)
         • Backbone-side chain: upper-bound-parabolic (5)
     • Range of distance target values: 2.4, 5.0 (Å)
     • Histogram of distance target values
     • Distance restraints per residue
       • Chain_ID: A
     • Distance restraints on contact map
       • Chain_ID_1: A - Chain_ID_2: A
     • Saveframe: DYANA/DIANA_distance_constraints_3
       • Status: Warning
       • Experiment type: hbond
       • Sequence coverage of experimental data
         • Entity_assembly_ID: A, Chain length: 8, Sequence coverage: 25.0%
       • Total number of restraints: 2
         • Total hydrogen bond restraints: 2
           • O...H-x: 1
           • O...h-N: 1
       • Weight of restraints: 1.0 (2)
         • Total hydrogen bond restraints: 1.0 (2)
           • O...H-x: 1.0 (1)
           • O...h-N: 1.0 (1)
       • Potential type of restraints: upper-bound-parabolic (2)
         • Total hydrogen bond restraints: upper-bound-parabolic (2)
           • O...H-x: upper-bound-parabolic (1)
           • O...h-N: upper-bound-parabolic (1)
       • Range of distance target values: 2.2, 3.2 (Å)
       • Histogram of distance target values
       • Distance restraints per residue
         • Chain_ID: A
       • Distance restraints on contact map

Dihedral angle restraints

1. Saveframe: DYANA/DIANA_dihedral_2
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 8, Sequence coverage: 75.0%

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     GCVXYPWC
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     GC..YPWC
     

   • Total number of restraints: 5
     • Phi angle constraints: 3
     • Chi1 angle constraints: 2
   • Total number of restraints per polymer type: 5
     • Protein: 5
   • Weight of restraints: 1.0 (5)
     • Phi angle constraints: 1.0 (3)
     • Chi1 angle constraints: 1.0 (2)
   • Potential type of restraints: square-well-parabolic (5)
     • Phi angle constraints: square-well-parabolic (3)
     • Chi1 angle constraints: square-well-parabolic (2)
   • Dihedral angle restraints per residue
     • Chain_ID: A