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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GCCSDPPCRNKHPDLCX
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GCCSDPPCRNKHPDLCX

Chain assignments

Content subtype: combined_18736_2lz5.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 94.1%

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     GCCSDPPCRNKHPDLCX
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     GCCSDPPCRNKHPDLC 
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   • Total number of assignments
     • ¹H chemical shifts: 88
   • Completeness of assignments
     • Entity_assemble_ID: A
       • Excluded Atom_ID in statistics

         Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
         9	ARG	HH11	7.067
         9	ARG	HH21	6.633
         9	ARG	HH22	6.633

       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	92	85	92.4

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	30	29	96.7

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	62	56	90.3

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	2	2	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	2	2	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_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 17, Sequence coverage: 94.1%

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     GCCSDPPCRNKHPDLCX
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     GCCSDPPCRNKHPDLC 
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   • Total number of restraints: 194
     • Intra-residue restraints, i = j : 64
     • Sequential restraints, | i - j | = 1 : 70
       • Backbone-backbone: 6
       • Backbone-side chain: 52
       • Side chain-side chain: 12
     • Medium range restraints, 1 < | i - j | < 5 : 48
       • Backbone-backbone: 12
       • Backbone-side chain: 14
       • Side chain-side chain: 22
     • Long range restraints, | i - j | >= 5 : 12
   • Weight of restraints: 1.0 (194)
     • Intra-residue restraints, i = j : 1.0 (64)
     • Sequential restraints, | i - j | = 1 : 1.0 (70)
       • Backbone-backbone: 1.0 (6)
       • Backbone-side chain: 1.0 (52)
       • Side chain-side chain: 1.0 (12)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (48)
       • Backbone-backbone: 1.0 (12)
       • Backbone-side chain: 1.0 (14)
       • Side chain-side chain: 1.0 (22)
     • Long range restraints, | i - j | >= 5 : 1.0 (12)
   • Potential type of restraints: square-well-parabolic (194)
     • Intra-residue restraints, i = j : square-well-parabolic (64)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (70)
       • Backbone-backbone: square-well-parabolic (6)
       • Backbone-side chain: square-well-parabolic (52)
       • Side chain-side chain: square-well-parabolic (12)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (48)
       • Backbone-backbone: square-well-parabolic (12)
       • Backbone-side chain: square-well-parabolic (14)
       • Side chain-side chain: square-well-parabolic (22)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (12)
   • Range of distance target values: 1.99, 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: 17, Sequence coverage: 58.8%

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     GCCSDPPCRNKHPDLCX
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     ..CSD...RNKH.DLC 
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   • Total number of restraints: 7
     • Phi angle constraints: 7
   • Total number of restraints per polymer type: 7
     • Protein: 7
   • Weight of restraints: 1.0 (7)
     • Phi angle constraints: 1.0 (7)
   • Potential type of restraints: square-well-parabolic (7)
     • Phi angle constraints: square-well-parabolic (7)
   • Dihedral angle restraints per residue
     • Chain_ID: A