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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KVGFFKRQYKEMMEEANGQIAPENGTQTPSPPSEK
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KVGFFKRQYKEMMEEANGQIAPENGTQTPSPPSEK

Chain assignments

Content subtype: combined_18542_2luv.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 35, Sequence coverage: 88.6%

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     KVGFFKRQYKEMMEEANGQIAPENGTQT.S..SE 
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   • Total number of assignments
     • ¹H chemical shifts: 153
     • ¹³C chemical shifts: 28
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	226	152	67.3
         13C chemical shifts	157	28	17.8

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	69	63	91.3
         13C chemical shifts	70	28	40.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	157	89	56.7
         13C chemical shifts	87	0	0.0

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	10	7	70.0
         13C chemical shifts	10	0	0.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	14	12	85.7
         13C chemical shifts	14	0	0.0

   • Histogram of normalized assigned chemical shifts
   • Random coil index and derived parameters (S² and NMR RMSD)
     • Chain_ID: A

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: 35, Sequence coverage: 88.6%

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     KVGFFKRQYKEMMEEANGQIAPENGTQT.S..SE 
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   • Total number of restraints: 354
     • Intra-residue restraints, i = j : 120
     • Sequential restraints, | i - j | = 1 : 109
       • Backbone-backbone: 53
       • Backbone-side chain: 43
       • Side chain-side chain: 12
     • Medium range restraints, 1 < | i - j | < 5 : 117
       • Backbone-backbone: 74
       • Backbone-side chain: 15
       • Side chain-side chain: 27
     • Long range restraints, | i - j | >= 5 : 8
   • Weight of restraints: 1.0 (354)
     • Intra-residue restraints, i = j : 1.0 (120)
     • Sequential restraints, | i - j | = 1 : 1.0 (109)
       • Backbone-backbone: 1.0 (53)
       • Backbone-side chain: 1.0 (43)
       • Side chain-side chain: 1.0 (12)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (117)
       • Backbone-backbone: 1.0 (74)
       • Backbone-side chain: 1.0 (15)
       • Side chain-side chain: 1.0 (27)
     • Long range restraints, | i - j | >= 5 : 1.0 (8)
   • Potential type of restraints: upper-bound-parabolic (354)
     • Intra-residue restraints, i = j : upper-bound-parabolic (120)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (109)
       • Backbone-backbone: upper-bound-parabolic (53)
       • Backbone-side chain: upper-bound-parabolic (43)
       • Side chain-side chain: upper-bound-parabolic (12)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (117)
       • Backbone-backbone: upper-bound-parabolic (74)
       • Backbone-side chain: upper-bound-parabolic (15)
       • Side chain-side chain: upper-bound-parabolic (27)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (8)
   • Range of distance target values: 2.8, 5.7 (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_2
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 35, Sequence coverage: 100.0%

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     KVGFFKRQYKEMMEEANGQIAPENGTQTPSPPSEK
     

   • Total number of restraints: 57
     • Phi angle constraints: 29
     • Psi angle constraints: 28
   • Total number of restraints per polymer type: 57
     • Protein: 57
   • Weight of restraints: 1.0 (57)
     • Phi angle constraints: 1.0 (29)
     • Psi angle constraints: 1.0 (28)
   • Potential type of restraints: square-well-parabolic (57)
     • Phi angle constraints: square-well-parabolic (29)
     • Psi angle constraints: square-well-parabolic (28)
   • Plot of Phi-Psi angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A