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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SGTLSTFFRLFNRSFTQAX
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SGTLSTFFRLFNRSFTQAX

Chain assignments

Content subtype: combined_15069_2i2h.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 19, Sequence coverage: 89.5%

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     SGTLSTFFRLFNRSFTQAX
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     .GTLSTFFRLFNRSFTQA 
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   • Total number of assignments
     • ¹H chemical shifts: 95
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	114	95	83.3

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	37	35	94.6

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	77	60	77.9

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	8	8	100.0

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	20	16	80.0

   • 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: 19, Sequence coverage: 89.5%

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     SGTLSTFFRLFNRSFTQAX
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     .GTLSTFFRLFNRSFTQA 
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   • Total number of restraints: 325
     • Intra-residue restraints, i = j : 158
     • Sequential restraints, | i - j | = 1 : 97
       • Backbone-backbone: 26
       • Backbone-side chain: 59
       • Side chain-side chain: 12
     • Medium range restraints, 1 < | i - j | < 5 : 70
       • Backbone-backbone: 11
       • Backbone-side chain: 36
       • Side chain-side chain: 23
   • Weight of restraints: 1.0 (325)
     • Intra-residue restraints, i = j : 1.0 (158)
     • Sequential restraints, | i - j | = 1 : 1.0 (97)
       • Backbone-backbone: 1.0 (26)
       • Backbone-side chain: 1.0 (59)
       • Side chain-side chain: 1.0 (12)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (70)
       • Backbone-backbone: 1.0 (11)
       • Backbone-side chain: 1.0 (36)
       • Side chain-side chain: 1.0 (23)
   • Potential type of restraints: square-well-parabolic (325)
     • Intra-residue restraints, i = j : square-well-parabolic (158)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (97)
       • Backbone-backbone: square-well-parabolic (26)
       • Backbone-side chain: square-well-parabolic (59)
       • Side chain-side chain: square-well-parabolic (12)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (70)
       • Backbone-backbone: square-well-parabolic (11)
       • Backbone-side chain: square-well-parabolic (36)
       • Side chain-side chain: square-well-parabolic (23)
   • Range of distance target values: 1.95, 5.75 (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
   • Saveframe: CNS/XPLOR_distance_constraints_3
     • Status: OK
     • Experiment type: hbond
     • Sequence coverage of experimental data
       • Entity_assembly_ID: A, Chain length: 19, Sequence coverage: 68.4%

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       SGTLSTFFRLFNRSFTQAX
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       ...LSTFFRLFNRSFT   
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     • Total number of restraints: 9
       • Total hydrogen bond restraints: 9
         • O...H-x: 9
     • Weight of restraints: 1.0 (9)
       • Total hydrogen bond restraints: 1.0 (9)
         • O...H-x: 1.0 (9)
     • Potential type of restraints: square-well-parabolic (9)
       • Total hydrogen bond restraints: square-well-parabolic (9)
         • O...H-x: square-well-parabolic (9)
     • Range of distance target values: 1.65, 1.65 (Å)
     • 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: CNS/XPLOR_dihedral_4
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 19, Sequence coverage: 57.9%

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     SGTLSTFFRLFNRSFTQAX
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     ....STFFRLFNRSF    
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   • Total number of restraints: 10
     • Phi angle constraints: 10
   • Total number of restraints per polymer type: 10
     • Protein: 10
   • Weight of restraints: 1.0 (10)
     • Phi angle constraints: 1.0 (10)
   • Potential type of restraints: square-well-parabolic (10)
     • Phi angle constraints: square-well-parabolic (10)
   • Dihedral angle restraints per residue
     • Chain_ID: A