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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CGETCFGGTCNTPGCSCTWPICTRDGLPV
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CGETCFGGTCNTPGCSCTWPICTRDGLPV

Chain assignments

Content subtype: combined_16074_2kch.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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     CGETCFGGTCNTPGCSCTWPICTRDGLPV
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     CGETCFGGTCNTPGCSCTWPICTRDGLPV
     

   • Total number of assignments
     • ¹H chemical shifts: 141
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	147	140	95.2

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	60	59	98.3

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	87	81	93.1

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	11	11	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	11	9	81.8

   • 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: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 29, Sequence coverage: 100.0%

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     CGETCFGGTCNTPGCSCTWPICTRDGLPV
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     CGETCFGGTCNTPGCSCTWPICTRDGLPV
     

   • Total number of restraints: 297
     • Intra-residue restraints, i = j : 86
     • Sequential restraints, | i - j | = 1 : 118
       • Backbone-backbone: 32
       • Backbone-side chain: 56
       • Side chain-side chain: 30
     • Medium range restraints, 1 < | i - j | < 5 : 40
       • Backbone-backbone: 9
       • Backbone-side chain: 24
       • Side chain-side chain: 7
     • Long range restraints, | i - j | >= 5 : 53
   • Weight of restraints: 1.0 (297)
     • Intra-residue restraints, i = j : 1.0 (86)
     • Sequential restraints, | i - j | = 1 : 1.0 (118)
       • Backbone-backbone: 1.0 (32)
       • Backbone-side chain: 1.0 (56)
       • Side chain-side chain: 1.0 (30)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (40)
       • Backbone-backbone: 1.0 (9)
       • Backbone-side chain: 1.0 (24)
       • Side chain-side chain: 1.0 (7)
     • Long range restraints, | i - j | >= 5 : 1.0 (53)
   • Potential type of restraints: square-well-parabolic (297)
     • Intra-residue restraints, i = j : square-well-parabolic (86)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (118)
       • Backbone-backbone: square-well-parabolic (32)
       • Backbone-side chain: square-well-parabolic (56)
       • Side chain-side chain: square-well-parabolic (30)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (40)
       • Backbone-backbone: square-well-parabolic (9)
       • Backbone-side chain: square-well-parabolic (24)
       • Side chain-side chain: square-well-parabolic (7)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (53)
   • Range of distance target values: 1.5, 9.39 (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