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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XLPGHXKRIXYSLLX
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XLPGHXKRIXYSLLX

Chain assignments

Content subtype: combined_34214_6f7n.nef

Assigned chemical shifts

1. Saveframe: assigned_chemical_shifts_1
   • Status: Warning
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 15, Sequence coverage: 100.0%

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   • Total number of assignments
     • ¹H chemical shifts: 93
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	97	93	95.9

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	23	22	95.7

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	74	71	95.9

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	13	12	92.3

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	6	6	100.0

   • 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: DYANA/DIANA_distance_constraints_3
   • Status: OK
   • Experiment type: noe
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 15, Sequence coverage: 73.3%

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     .LPGH.KRI.YSLL 
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   • Total number of restraints: 100
     • Intra-residue restraints, i = j : 49
     • Sequential restraints, | i - j | = 1 : 38
       • Backbone-backbone: 7
       • Backbone-side chain: 23
       • Side chain-side chain: 8
     • Medium range restraints, 1 < | i - j | < 5 : 13
       • Backbone-backbone: 4
       • Backbone-side chain: 8
       • Side chain-side chain: 1
   • Weight of restraints: 1.0 (100)
     • Intra-residue restraints, i = j : 1.0 (49)
     • Sequential restraints, | i - j | = 1 : 1.0 (38)
       • Backbone-backbone: 1.0 (7)
       • Backbone-side chain: 1.0 (23)
       • Side chain-side chain: 1.0 (8)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (13)
       • Backbone-backbone: 1.0 (4)
       • Backbone-side chain: 1.0 (8)
       • Side chain-side chain: 1.0 (1)
   • Potential type of restraints: upper-bound-parabolic (100)
     • Intra-residue restraints, i = j : upper-bound-parabolic (49)
     • Sequential restraints, | i - j | = 1 : upper-bound-parabolic (38)
       • Backbone-backbone: upper-bound-parabolic (7)
       • Backbone-side chain: upper-bound-parabolic (23)
       • Side chain-side chain: upper-bound-parabolic (8)
     • Medium range restraints, 1 < | i - j | < 5 : upper-bound-parabolic (13)
       • Backbone-backbone: upper-bound-parabolic (4)
       • Backbone-side chain: upper-bound-parabolic (8)
       • Side chain-side chain: upper-bound-parabolic (1)
   • Range of distance target values: 3.03, 8.48 (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: 15, Sequence coverage: 86.7%

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   • Total number of restraints: 49
     • Phi angle constraints: 12
     • Chi1 angle constraints: 15
     • Chi2 angle constraints: 10
     • Psi angle constraints: 10
     • Chi21 angle constraints: 2
   • Total number of restraints per polymer type: 49
     • Carbohydrate: 2
     • Protein: 47
   • Weight of restraints: 1.0 (49)
     • Phi angle constraints: 1.0 (12)
     • Chi1 angle constraints: 1.0 (15)
     • Chi2 angle constraints: 1.0 (10)
     • Psi angle constraints: 1.0 (10)
     • Chi21 angle constraints: 1.0 (2)
   • Potential type of restraints: square-well-parabolic (49)
     • Phi angle constraints: square-well-parabolic (12)
     • Chi1 angle constraints: square-well-parabolic (15)
     • Chi2 angle constraints: square-well-parabolic (10)
     • Psi angle constraints: square-well-parabolic (10)
     • Chi21 angle constraints: square-well-parabolic (2)
   • Plot of Phi-Psi angle restraints
   • Plot of Chi1-Chi2 angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A