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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GLPVCGETCVGGTCNTPGCTCSWPVCTRN
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GLPVCGETCVGGTCNTPGCTCSWPVCTRN

Chain assignments

Content subtype: combined_16235_2khb.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 29, Sequence coverage: 100.0%

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     GLPVCGETCVGGTCNTPGCTCSWPVCTRN
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     GLPVCGETCVGGTCNTPGCTCSWPVCTRN
     

   • Total number of assignments
     • ¹H chemical shifts: 140
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	143	139	97.2

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	60	58	96.7

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	83	81	97.6

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	13	13	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	6	6	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: CNS/XPLOR_distance_constraints_3
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 29, Sequence coverage: 96.6%

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     GLPVCGETCVGGTCNTPGCTCSWPVCTRN
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     .LPVCGETCVGGTCNTPGCTCSWPVCTRN
     

   • Total number of restraints: 182
     • Intra-residue restraints, i = j : 58
     • Sequential restraints, | i - j | = 1 : 89
       • Backbone-backbone: 31
       • Backbone-side chain: 46
       • Side chain-side chain: 12
     • Medium range restraints, 1 < | i - j | < 5 : 11
       • Backbone-backbone: 3
       • Backbone-side chain: 6
       • Side chain-side chain: 2
     • Long range restraints, | i - j | >= 5 : 24
   • Weight of restraints: 1.0 (182)
     • Intra-residue restraints, i = j : 1.0 (58)
     • Sequential restraints, | i - j | = 1 : 1.0 (89)
       • Backbone-backbone: 1.0 (31)
       • Backbone-side chain: 1.0 (46)
       • Side chain-side chain: 1.0 (12)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (11)
       • Backbone-backbone: 1.0 (3)
       • Backbone-side chain: 1.0 (6)
       • Side chain-side chain: 1.0 (2)
     • Long range restraints, | i - j | >= 5 : 1.0 (24)
   • Potential type of restraints: square-well-parabolic (182)
     • Intra-residue restraints, i = j : square-well-parabolic (58)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (89)
       • Backbone-backbone: square-well-parabolic (31)
       • Backbone-side chain: square-well-parabolic (46)
       • Side chain-side chain: square-well-parabolic (12)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (11)
       • Backbone-backbone: square-well-parabolic (3)
       • Backbone-side chain: square-well-parabolic (6)
       • Side chain-side chain: square-well-parabolic (2)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (24)
   • Range of distance target values: 2.08, 4.7 (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