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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LRVRRTLQCSCRRVCRNTCSCIRLSRSTYAS
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LRVRRTLQCSCRRVCRNTCSCIRLSRSTYAS

• Entity_assembly_ID (NMR): B vs Auth_asym_ID (model): B

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LRVRRTLQCSCRRVCRNTCSCIRLSRSTYAS
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LRVRRTLQCSCRRVCRNTCSCIRLSRSTYAS
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Chain assignments

Content subtype: combined_36019_5gwg.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 31, Sequence coverage: 100.0%

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     LRVRRTLQCSCRRVCRNTCSCIRLSRSTYAS
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     LRVRRTLQCSCRRVCRNTCSCIRLSRSTYAS
     

   • Total number of assignments
     • ¹H chemical shifts: 158
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	187	158	84.5

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	62	61	98.4

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	125	97	77.6

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	16	14	87.5

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	4	2	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: 31, Sequence coverage: 96.8%

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     LRVRRTLQCSCRRVCRNTCSCIRLSRSTYAS
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     .RVRRTLQCSCRRVCRNTCSCIRLSRSTYAS
     

     • Entity_assembly_ID: B, Chain length: 31, Sequence coverage: 96.8%

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     LRVRRTLQCSCRRVCRNTCSCIRLSRSTYAS
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     .RVRRTLQCSCRRVCRNTCSCIRLSRSTYAS
     

   • Total number of restraints: 850
     • Intra-residue restraints, i = j : 274
     • Sequential restraints, | i - j | = 1 : 361
       • Backbone-backbone: 92
       • Backbone-side chain: 227
       • Side chain-side chain: 42
     • Medium range restraints, 1 < | i - j | < 5 : 92
       • Backbone-backbone: 16
       • Backbone-side chain: 48
       • Side chain-side chain: 28
     • Long range restraints, | i - j | >= 5 : 123
   • Weight of restraints: 1.0 (850)
     • Intra-residue restraints, i = j : 1.0 (274)
     • Sequential restraints, | i - j | = 1 : 1.0 (361)
       • Backbone-backbone: 1.0 (92)
       • Backbone-side chain: 1.0 (227)
       • Side chain-side chain: 1.0 (42)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (92)
       • Backbone-backbone: 1.0 (16)
       • Backbone-side chain: 1.0 (48)
       • Side chain-side chain: 1.0 (28)
     • Long range restraints, | i - j | >= 5 : 1.0 (123)
   • Potential type of restraints: square-well-parabolic (850)
     • Intra-residue restraints, i = j : square-well-parabolic (274)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (361)
       • Backbone-backbone: square-well-parabolic (92)
       • Backbone-side chain: square-well-parabolic (227)
       • Side chain-side chain: square-well-parabolic (42)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (92)
       • Backbone-backbone: square-well-parabolic (16)
       • Backbone-side chain: square-well-parabolic (48)
       • Side chain-side chain: square-well-parabolic (28)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (123)
   • Range of distance target values: 1.0, 3.25 (Å)
   • Histogram of distance target values
   • Histogram of discrepancy in distance target values
   • Distance restraints per residue
     • Chain_ID: A
     • Chain_ID: B
   • Distance restraints on contact map
     • Chain_ID_1: A - Chain_ID_2: A
     • Chain_ID_1: B - Chain_ID_2: B

Dihedral angle restraints

1. Saveframe: CNS/XPLOR_dihedral_3
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 31, Sequence coverage: 45.2%
     • Entity_assembly_ID: B, Chain length: 31, Sequence coverage: 45.2%
   • Total number of restraints: 40
     • Phi angle constraints: 20
     • Psi angle constraints: 20
   • Total number of restraints per polymer type: 40
     • Protein: 40
   • Weight of restraints: 1.0 (40)
     • Phi angle constraints: 1.0 (20)
     • Psi angle constraints: 1.0 (20)
   • Potential type of restraints: square-well-parabolic (40)
     • Phi angle constraints: square-well-parabolic (20)
     • Psi angle constraints: square-well-parabolic (20)
   • Plot of Phi-Psi angle restraints
   • Dihedral angle restraints per residue