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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SCNNSCQSHSDCASHCICTFRGCGAVNGLP
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SCNNSCQSHSDCASHCICTFRGCGAVNGLP

Chain assignments

Content subtype: combined_25128_2mso.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 30, Sequence coverage: 100.0%

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     SCNNSCQSHSDCASHCICTFRGCGAVNGLP
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     SCNNSCQSHSDCASHCICTFRGCGAVNGLP
     

   • Total number of assignments
     • ¹H chemical shifts: 146
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	149	146	98.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	62	62	100.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	87	84	96.6

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	9	9	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	9	8	88.9

   • 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: DYANA/DIANA_distance_constraints_3
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 30, Sequence coverage: 100.0%

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     SCNNSCQSHSDCASHCICTFRGCGAVNGLP
     

   • Total number of restraints: 358
     • Intra-residue restraints, i = j : 117
     • Sequential restraints, | i - j | = 1 : 131
       • Backbone-backbone: 45
       • Backbone-side chain: 69
       • Side chain-side chain: 16
     • Medium range restraints, 1 < | i - j | < 5 : 33
       • Backbone-backbone: 6
       • Backbone-side chain: 20
       • Side chain-side chain: 7
     • Long range restraints, | i - j | >= 5 : 77
   • Weight of restraints: 1.0 (358)
     • Intra-residue restraints, i = j : 1.0 (117)
     • Sequential restraints, | i - j | = 1 : 1.0 (131)
       • Backbone-backbone: 1.0 (45)
       • Backbone-side chain: 1.0 (69)
       • Side chain-side chain: 1.0 (16)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (33)
       • Backbone-backbone: 1.0 (6)
       • Backbone-side chain: 1.0 (20)
       • Side chain-side chain: 1.0 (7)
     • Long range restraints, | i - j | >= 5 : 1.0 (77)
   • Potential type of restraints: upper-bound-parabolic (358)
     • Intra-residue restraints, i = j : upper-bound-parabolic (117)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (131)
       • Backbone-backbone: upper-bound-parabolic (45)
       • Backbone-side chain: upper-bound-parabolic (69)
       • Side chain-side chain: upper-bound-parabolic (16)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (33)
       • Backbone-backbone: upper-bound-parabolic (6)
       • Backbone-side chain: upper-bound-parabolic (20)
       • Side chain-side chain: upper-bound-parabolic (7)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (77)
   • Range of distance target values: 2.42, 5.5 (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: DYANA/DIANA_dihedral_5
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 30, Sequence coverage: 96.7%

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     SCNNSCQSHSDCASHCICTFRGCGAVNGLP
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     SCNNSCQSHSDCASHCICTFRGCGAVNGL 
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   • Total number of restraints: 33
     • Chi1 angle constraints: 7
     • Phi angle constraints: 26
   • Total number of restraints per polymer type: 33
     • Protein: 33
   • Weight of restraints: 1.0 (33)
     • Chi1 angle constraints: 1.0 (7)
     • Phi angle constraints: 1.0 (26)
   • Potential type of restraints: square-well-parabolic (33)
     • Chi1 angle constraints: square-well-parabolic (7)
     • Phi angle constraints: square-well-parabolic (26)
   • Dihedral angle restraints per residue
     • Chain_ID: A