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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RGGRLCYCRPRFCVCVGR
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RGGRLCYCRPRFCVCVGR

Chain assignments

Content subtype: combined_26009_2nc7.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 18, Sequence coverage: 100.0%

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     RGGRLCYCRPRFCVCVGR
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     RGGRLCYCRPRFCVCVGR
     

   • Total number of assignments
     • ¹H chemical shifts: 107
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	111	107	96.4

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	38	37	97.4

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	73	70	95.9

       • 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	9	8	88.9

   • 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_3
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 18, Sequence coverage: 100.0%

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     RGGRLCYCRPRFCVCVGR
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     RGGRLCYCRPRFCVCVGR
     

   • Total number of restraints: 221
     • Intra-residue restraints, i = j : 121
     • Sequential restraints, | i - j | = 1 : 85
       • Backbone-backbone: 31
       • Backbone-side chain: 44
       • Side chain-side chain: 10
     • Medium range restraints, 1 < | i - j | < 5 : 9
       • Backbone-backbone: 5
       • Side chain-side chain: 4
     • Long range restraints, | i - j | >= 5 : 6
   • Weight of restraints: 1.0 (221)
     • Intra-residue restraints, i = j : 1.0 (121)
     • Sequential restraints, | i - j | = 1 : 1.0 (85)
       • Backbone-backbone: 1.0 (31)
       • Backbone-side chain: 1.0 (44)
       • Side chain-side chain: 1.0 (10)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (9)
       • Backbone-backbone: 1.0 (5)
       • Side chain-side chain: 1.0 (4)
     • Long range restraints, | i - j | >= 5 : 1.0 (6)
   • Potential type of restraints: square-well-parabolic (221)
     • Intra-residue restraints, i = j : square-well-parabolic (121)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (85)
       • Backbone-backbone: square-well-parabolic (31)
       • Backbone-side chain: square-well-parabolic (44)
       • Side chain-side chain: square-well-parabolic (10)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (9)
       • Backbone-backbone: square-well-parabolic (5)
       • Side chain-side chain: square-well-parabolic (4)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (6)
   • Range of distance target values: 1.5, 4.85 (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: CNS/XPLOR_distance_constraints_2
     • Status: OK
     • Experiment type: hbond
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 18, Sequence coverage: 55.6%

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       RGGRLCYCRPRFCVCVGR
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       ....LCYCR..FCVCV  
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     • Total number of restraints: 14
       • Long range restraints, | i - j | >= 5 : 2
       • Total hydrogen bond restraints: 12
         • O...h-N: 2
         • O...H-x: 2
         • Long range: 8
           • O...h-N: 4
           • O...H-x: 4
     • Weight of restraints: 1.0 (14)
       • Long range restraints, | i - j | >= 5 : 1.0 (2)
       • Total hydrogen bond restraints: 1.0 (12)
         • O...h-N: 1.0 (2)
         • O...H-x: 1.0 (2)
         • Long range: 1.0 (8)
           • O...h-N: 1.0 (4)
           • O...H-x: 1.0 (4)
     • Potential type of restraints: square-well-parabolic (14)
       • Long range restraints, | i - j | >= 5 : square-well-parabolic (2)
       • Total hydrogen bond restraints: square-well-parabolic (12)
         • O...h-N: square-well-parabolic (2)
         • O...H-x: square-well-parabolic (2)
         • Long range: square-well-parabolic (8)
           • O...h-N: square-well-parabolic (4)
           • O...H-x: square-well-parabolic (4)
     • Range of distance target values: 1.9, 2.85 (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