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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GCCSHPVCSAMSPICX
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GCCSHPVCSAMSPICX

Chain assignments

Content subtype: combined_18964_2m3i.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 16, Sequence coverage: 93.8%

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     GCCSHPVCSAMSPICX
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     GCCSHPVCSAMSPIC 
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   • Total number of assignments
     • ¹H chemical shifts: 69
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	75	69	92.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	29	28	96.6

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	46	41	89.1

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	6	4	66.7

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	2	1	50.0

   • 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_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 16, Sequence coverage: 87.5%

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     GCCSHPVCSAMSPICX
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     .CCSHPVCSAMSPIC 
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   • Total number of restraints: 108
     • Intra-residue restraints, i = j : 48
     • Sequential restraints, | i - j | = 1 : 38
       • Backbone-backbone: 10
       • Backbone-side chain: 25
       • Side chain-side chain: 3
     • Medium range restraints, 1 < | i - j | < 5 : 14
       • Backbone-backbone: 5
       • Backbone-side chain: 9
     • Long range restraints, | i - j | >= 5 : 8
   • Weight of restraints: 1.0 (108)
     • Intra-residue restraints, i = j : 1.0 (48)
     • Sequential restraints, | i - j | = 1 : 1.0 (38)
       • Backbone-backbone: 1.0 (10)
       • Backbone-side chain: 1.0 (25)
       • Side chain-side chain: 1.0 (3)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (14)
       • Backbone-backbone: 1.0 (5)
       • Backbone-side chain: 1.0 (9)
     • Long range restraints, | i - j | >= 5 : 1.0 (8)
   • Potential type of restraints: square-well-parabolic (108)
     • Intra-residue restraints, i = j : square-well-parabolic (48)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (38)
       • Backbone-backbone: square-well-parabolic (10)
       • Backbone-side chain: square-well-parabolic (25)
       • Side chain-side chain: square-well-parabolic (3)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (14)
       • Backbone-backbone: square-well-parabolic (5)
       • Backbone-side chain: square-well-parabolic (9)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (8)
   • Range of distance target values: 2.09, 4.16 (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

Dihedral angle restraints

1. Saveframe: CNS/XPLOR_dihedral_3
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 16, Sequence coverage: 62.5%

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     GCCSHPVCSAMSPICX
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     ..CS.PVCS.MS.IC 
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   • Total number of restraints: 5
     • Phi angle constraints: 5
   • Total number of restraints per polymer type: 5
     • Protein: 5
   • Weight of restraints: 1.0 (5)
     • Phi angle constraints: 1.0 (5)
   • Potential type of restraints: square-well-parabolic (5)
     • Phi angle constraints: square-well-parabolic (5)
   • Dihedral angle restraints per residue
     • Chain_ID: A