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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AMVSEFLKQAWFIENEEQEYVQTVK

Chain assignments

Content subtype: combined_30281_5vfw.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 25, Sequence coverage: 88.0%

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     AMVSEFLKQAWFI.N.EQ.YVQTVK
     

   • Total number of assignments
     • ¹H chemical shifts: 125
     • ¹³C chemical shifts: 13
     • ¹⁵N chemical shifts: 18
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	166	124	74.7
         13C chemical shifts	123	13	10.6
         15N chemical shifts	30	18	60.0

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	50	43	86.0
         13C chemical shifts	50	11	22.0
         15N chemical shifts	25	14	56.0

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	116	81	69.8
         13C chemical shifts	73	2	2.7
         15N chemical shifts	5	4	80.0

       • Methyl 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

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	20	18	90.0
         13C chemical shifts	19	0	0.0
         15N chemical shifts	1	1	100.0

   • 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_2
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 25, Sequence coverage: 88.0%

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   • Total number of restraints: 340
     • Intra-residue restraints, i = j : 121
     • Sequential restraints, | i - j | = 1 : 127
       • Backbone-backbone: 27
       • Backbone-side chain: 70
       • Side chain-side chain: 30
     • Medium range restraints, 1 < | i - j | < 5 : 86
       • Backbone-backbone: 7
       • Backbone-side chain: 36
       • Side chain-side chain: 43
     • Long range restraints, | i - j | >= 5 : 6
   • Weight of restraints: 1.0 (340)
     • Intra-residue restraints, i = j : 1.0 (121)
     • Sequential restraints, | i - j | = 1 : 1.0 (127)
       • Backbone-backbone: 1.0 (27)
       • Backbone-side chain: 1.0 (70)
       • Side chain-side chain: 1.0 (30)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (86)
       • Backbone-backbone: 1.0 (7)
       • Backbone-side chain: 1.0 (36)
       • Side chain-side chain: 1.0 (43)
     • Long range restraints, | i - j | >= 5 : 1.0 (6)
   • Potential type of restraints: upper-bound-parabolic (340)
     • Intra-residue restraints, i = j : upper-bound-parabolic (121)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (127)
       • Backbone-backbone: upper-bound-parabolic (27)
       • Backbone-side chain: upper-bound-parabolic (70)
       • Side chain-side chain: upper-bound-parabolic (30)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (86)
       • Backbone-backbone: upper-bound-parabolic (7)
       • Backbone-side chain: upper-bound-parabolic (36)
       • Side chain-side chain: upper-bound-parabolic (43)
     • Long range restraints, | i - j | >= 5 : upper-bound-parabolic (6)
   • Range of distance target values: 2.81, 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_3
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 25, Sequence coverage: 96.0%

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     AMVSEFLKQAWFIENEEQEYVQTV 
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   • Total number of restraints: 37
     • Phi angle constraints: 20
     • Psi angle constraints: 17
   • Total number of restraints per polymer type: 37
     • Protein: 37
   • Weight of restraints: 1.0 (37)
     • Phi angle constraints: 1.0 (20)
     • Psi angle constraints: 1.0 (17)
   • Potential type of restraints: square-well-parabolic (37)
     • Phi angle constraints: square-well-parabolic (20)
     • Psi angle constraints: square-well-parabolic (17)
   • Plot of Phi-Psi angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A