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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HGEGTFTSDLSKQMEEEAVRCFIECLKGIGHKYPFCHCR
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HGEGTFTSDLSKQMEEEAVRCFIECLKGIGHKYPFCHCR

Chain assignments

Content subtype: combined_25949_2naw.nef

Assigned chemical shifts

1. Saveframe: assigned_chem_shift_list_1
   • Status: OK
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 39, Sequence coverage: 100.0%

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     HGEGTFTSDLSKQMEEEAVRCFIECLKGIGHKYPFCHCR
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     HGEGTFTSDLSKQMEEEAVRCFIECLKGIGHKYPFCHCR
     

   • Total number of assignments
     • ¹H chemical shifts: 216
   • Completeness of assignments
     • Entity_assemble_ID: A
       • All atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	237	216	91.1

       • Backbone atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	81	80	98.8

       • Side chain atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	156	136	87.2

       • Methyl group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	14	13	92.9

       • Aromatic group atoms

         Atom group	# of target shifts	# of assigned shifts	Completeness (%)
         1H chemical shifts	25	22	88.0

   • 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: 39, Sequence coverage: 97.4%

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     HGEGTFTSDLSKQMEEEAVRCFIECLKGIGHKYPFCHCR
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     H.EGTFTSDLSKQMEEEAVRCFIECLKGIGHKYPFCHCR
     

   • Total number of restraints: 708
     • Intra-residue restraints, i = j : 222
     • Sequential restraints, | i - j | = 1 : 273
       • Backbone-backbone: 46
       • Backbone-side chain: 160
       • Side chain-side chain: 67
     • Medium range restraints, 1 < | i - j | < 5 : 169
       • Backbone-backbone: 34
       • Backbone-side chain: 90
       • Side chain-side chain: 45
     • Long range restraints, | i - j | >= 5 : 44
   • Weight of restraints: 1.0 (708)
     • Intra-residue restraints, i = j : 1.0 (222)
     • Sequential restraints, | i - j | = 1 : 1.0 (273)
       • Backbone-backbone: 1.0 (46)
       • Backbone-side chain: 1.0 (160)
       • Side chain-side chain: 1.0 (67)
     • Medium range restraints, 1 < | i - j | < 5 : 1.0 (169)
       • Backbone-backbone: 1.0 (34)
       • Backbone-side chain: 1.0 (90)
       • Side chain-side chain: 1.0 (45)
     • Long range restraints, | i - j | >= 5 : 1.0 (44)
   • Potential type of restraints: square-well-parabolic (708)
     • Intra-residue restraints, i = j : square-well-parabolic (222)
     • Sequential restraints, | i - j | = 1 : square-well-parabolic (273)
       • Backbone-backbone: square-well-parabolic (46)
       • Backbone-side chain: square-well-parabolic (160)
       • Side chain-side chain: square-well-parabolic (67)
     • Medium range restraints, 1 < | i - j | < 5 : square-well-parabolic (169)
       • Backbone-backbone: square-well-parabolic (34)
       • Backbone-side chain: square-well-parabolic (90)
       • Side chain-side chain: square-well-parabolic (45)
     • Long range restraints, | i - j | >= 5 : square-well-parabolic (44)
   • Range of distance target values: 1.27, 2.75 (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

Dihedral angle restraints

1. Saveframe: CNS/XPLOR_dihedral_3
   • Status: OK
   • Experiment type: .
   • Sequence coverage of experimental data
     • Entity_assembly_ID: A, Chain length: 39, Sequence coverage: 82.1%

     --------10--------20--------30---------
     HGEGTFTSDLSKQMEEEAVRCFIECLKGIGHKYPFCHCR
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     HGEGTFTSDLSKQ...EAVRCFIECL.GIGHKYPFC   
     --------10--------20--------30------   
     

   • Total number of restraints: 38
     • Phi angle constraints: 19
     • Psi angle constraints: 19
   • Total number of restraints per polymer type: 38
     • Protein: 38
   • Weight of restraints: 1.0 (38)
     • Phi angle constraints: 1.0 (19)
     • Psi angle constraints: 1.0 (19)
   • Potential type of restraints: square-well-parabolic (38)
     • Phi angle constraints: square-well-parabolic (19)
     • Psi angle constraints: square-well-parabolic (19)
   • Plot of Phi-Psi angle restraints
   • Dihedral angle restraints per residue
     • Chain_ID: A