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

--------10--------20--------30--------40--
DCAKEGEVCSWGKKCCDLDNFYCPMEFIPHCKKYKPYVPVTT
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DCAKEGEVCSWGKKCCDLDNFYCPMEFIPHCKKYKPYVPVTT

Chain assignments

Content subtype: combined_25922_2n9z.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 42, Sequence coverage: 100.0%

     --------10--------20--------30--------40--
     DCAKEGEVCSWGKKCCDLDNFYCPMEFIPHCKKYKPYVPVTT
     ||||||||||||||||||||||||||||||||||||||||||
     DCAKEGEVCSWGKKCCDLDNFYCPMEFIPHCKKYKPYVPVTT
     

   • Total number of assignments
     • ¹H chemical shifts: 238
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	263	238	90.5

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	82	81	98.8

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	181	157	86.7

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	14	12	85.7

       • Aromatic group atoms

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

   • 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: 42, Sequence coverage: 100.0%

     --------10--------20--------30--------40--
     DCAKEGEVCSWGKKCCDLDNFYCPMEFIPHCKKYKPYVPVTT
     ||||||||||||||||||||||||||||||||||||||||||
     DCAKEGEVCSWGKKCCDLDNFYCPMEFIPHCKKYKPYVPVTT
     

   • Total number of restraints: 604
     • Intra-residue restraints, i = j : 214
     • Sequential restraints, | i - j | = 1 : 175
       • Backbone-backbone: 62
       • Backbone-side chain: 91
       • Side chain-side chain: 22
     • Medium range restraints, 1 < | i - j | < 5 : 66
       • Backbone-backbone: 8
       • Backbone-side chain: 24
       • Side chain-side chain: 34
     • Long range restraints, | i - j | >= 5 : 149
   • Weight of restraints: 1.0 (604)
     • Intra-residue restraints, i = j : 1.0 (214)
     • Sequential restraints, | i - j | = 1 : 1.0 (175)
       • Backbone-backbone: 1.0 (62)
       • Backbone-side chain: 1.0 (91)
       • Side chain-side chain: 1.0 (22)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (66)
       • Backbone-backbone: 1.0 (8)
       • Backbone-side chain: 1.0 (24)
       • Side chain-side chain: 1.0 (34)
     • Long range restraints, | i - j | >= 5 : 1.0 (149)
   • Potential type of restraints: square-well-parabolic (604)
     • Intra-residue restraints, i = j : square-well-parabolic (214)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (175)
       • Backbone-backbone: square-well-parabolic (62)
       • Backbone-side chain: square-well-parabolic (91)
       • Side chain-side chain: square-well-parabolic (22)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (66)
       • Backbone-backbone: square-well-parabolic (8)
       • Backbone-side chain: square-well-parabolic (24)
       • Side chain-side chain: square-well-parabolic (34)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (149)
   • Range of distance target values: 1.51, 2.75 (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: Warning
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 42, Sequence coverage: 26.2%
   • Total number of restraints: 6
     • Phi angle constraints: 6
   • Total number of restraints per polymer type: 6
     • Protein: 6
   • Weight of restraints: 1.0 (6)
     • Phi angle constraints: 1.0 (6)
   • Potential type of restraints: square-well-parabolic (6)
     • Phi angle constraints: square-well-parabolic (6)
   • Dihedral angle restraints per residue